(1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol

C19H27N3O2 — CID 14747871

IUPAC(1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol
SMILESCOc1cccc(CCC(C)(C)NC[C@H](O)c2ccc(N)nc2)c1
InChIInChI=1S/C19H27N3O2/c1-19(2,10-9-14-5-4-6-16(11-14)24-3)22-13-17(23)15-7-8-18(20)21-12-15/h4-8,11-12,17,22-23H,9-10,13H2,1-3H3,(H2,20,21)/t17-/m0/s1
InChIKeyDORNFLJMCQDYPA-KRWDZBQOSA-N
MW329.44 g/mol
LogP2.71
Rot. Bonds8

About (1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol

(1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol (PubChem CID 14747871) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol
PubChem CID14747871
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol
SMILESCOc1cccc(CCC(C)(C)NC[C@H](O)c2ccc(N)nc2)c1
InChIInChI=1S/C19H27N3O2/c1-19(2,10-9-14-5-4-6-16(11-14)24-3)22-13-17(23)15-7-8-18(20)21-12-15/h4-8,11-12,17,22-23H,9-10,13H2,1-3H3,(H2,20,21)/t17-/m0/s1
InChIKeyDORNFLJMCQDYPA-KRWDZBQOSA-N
XLogP2.71
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 19831980
2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 142973149
2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[(2-hydroxy-3-methoxyphenyl)methyl]acetamide
CID 69355442
4-[[[2-[3-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 22051230
4-[[[2-[3-[2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 69115550
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
2-[3-[2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[(3,4-dimethylphenyl)methyl]acetamide
CID 69221540
(1R)-1-(6-amino-3-pyridinyl)-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanol;dihydrochloride
CID 67924545
2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(2-chloro-4-hydroxyphenyl)acetamide
CID 11363371
2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide
CID 11214051
5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43302210
N-(6-amino-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 62899176

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol?
The IUPAC name of (1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol (CID 14747871) is (1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol.
What is the SMILES notation for (1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol?
The canonical SMILES for (1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol is COc1cccc(CCC(C)(C)NC[C@H](O)c2ccc(N)nc2)c1.
What is the InChIKey of (1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol?
The InChIKey is DORNFLJMCQDYPA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2,10-9-14-5-4-6-16(11-14)24-3)22-13-17(23)15-7-8-18(20)21-12-15/h4-8,11-12,17,22-23H,9-10,13H2,1-3H3,(H2,20,21)/t17-/m0/s1.
What are the key properties of (1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol?
(1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol has a molecular weight of 329.44 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-amino-3-pyridinyl)-2-[[4-(3-methoxyphenyl)-2-methylbutan-2-yl]amino]ethanol is sourced from PubChem (CID 14747871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).