1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol

C16H26N2O — CID 64822024

IUPAC1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol
SMILESCC(C)CN(CC(O)(CN)c1ccccc1)C1CC1
InChIInChI=1S/C16H26N2O/c1-13(2)10-18(15-8-9-15)12-16(19,11-17)14-6-4-3-5-7-14/h3-7,13,15,19H,8-12,17H2,1-2H3
InChIKeyXACXRSJYWYERQY-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.95
Rot. Bonds7

About 1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol

1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol (PubChem CID 64822024) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol
PubChem CID64822024
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol
SMILESCC(C)CN(CC(O)(CN)c1ccccc1)C1CC1
InChIInChI=1S/C16H26N2O/c1-13(2)10-18(15-8-9-15)12-16(19,11-17)14-6-4-3-5-7-14/h3-7,13,15,19H,8-12,17H2,1-2H3
InChIKeyXACXRSJYWYERQY-UHFFFAOYSA-N
XLogP1.95
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol
CID 116695799
1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol
CID 64820472
4-[cyclopropyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695209
1-amino-4,6-dimethyl-2-phenylheptan-2-ol
CID 114200484
1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol
CID 64821841
N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-2-phenylpropane-1,3-diamine
CID 64522840
1-[cyclopropyl(2-hydroxyethyl)amino]-2-phenylpropan-2-ol
CID 62373661
N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine
CID 78987346
1-amino-5-[cyclopropyl(2-methylpropyl)amino]-2-methylpentan-2-ol
CID 64818670
1-amino-3-(3,4-dimethylcyclohexyl)oxy-2-phenylpropan-2-ol
CID 64813393
1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol
CID 55002007
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol (CID 64822024) is 1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol is CC(C)CN(CC(O)(CN)c1ccccc1)C1CC1.
What is the InChIKey of 1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol?
The InChIKey is XACXRSJYWYERQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)10-18(15-8-9-15)12-16(19,11-17)14-6-4-3-5-7-14/h3-7,13,15,19H,8-12,17H2,1-2H3.
What are the key properties of 1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol?
1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 64822024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).