(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol

C16H27NO2 — CID 103959967

IUPAC(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
SMILESCCC(C)N(CCOC)c1ccccc1[C@@H](O)CC
InChIInChI=1S/C16H27NO2/c1-5-13(3)17(11-12-19-4)15-10-8-7-9-14(15)16(18)6-2/h7-10,13,16,18H,5-6,11-12H2,1-4H3/t13?,16-/m0/s1
InChIKeyLPGMWRRWIJRLNI-VYIIXAMBSA-N
MW265.40 g/mol
LogP3.38
Rot. Bonds8

About (1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol

(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol (PubChem CID 103959967) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
PubChem CID103959967
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
SMILESCCC(C)N(CCOC)c1ccccc1[C@@H](O)CC
InChIInChI=1S/C16H27NO2/c1-5-13(3)17(11-12-19-4)15-10-8-7-9-14(15)16(18)6-2/h7-10,13,16,18H,5-6,11-12H2,1-4H3/t13?,16-/m0/s1
InChIKeyLPGMWRRWIJRLNI-VYIIXAMBSA-N
XLogP3.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 103960325
2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 112678052
(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol
CID 103959999
2-(1-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 115995066
1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677386
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
CID 112678949
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 103959097
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999381
2-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82951873
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol (CID 103959967) is (1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol is CCC(C)N(CCOC)c1ccccc1[C@@H](O)CC.
What is the InChIKey of (1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol?
The InChIKey is LPGMWRRWIJRLNI-VYIIXAMBSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-13(3)17(11-12-19-4)15-10-8-7-9-14(15)16(18)6-2/h7-10,13,16,18H,5-6,11-12H2,1-4H3/t13?,16-/m0/s1.
What are the key properties of (1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol?
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 103959967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).