1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol

C17H28N2O — CID 116695809

IUPAC1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol
SMILESCCCN(CCC(O)(CN)c1ccccc1)CC1CC1
InChIInChI=1S/C17H28N2O/c1-2-11-19(13-15-8-9-15)12-10-17(20,14-18)16-6-4-3-5-7-16/h3-7,15,20H,2,8-14,18H2,1H3
InChIKeyICLSPUIPEIORBC-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.35
Rot. Bonds9

About 1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol

1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol (PubChem CID 116695809) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol
PubChem CID116695809
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol
SMILESCCCN(CCC(O)(CN)c1ccccc1)CC1CC1
InChIInChI=1S/C17H28N2O/c1-2-11-19(13-15-8-9-15)12-10-17(20,14-18)16-6-4-3-5-7-16/h3-7,15,20H,2,8-14,18H2,1H3
InChIKeyICLSPUIPEIORBC-UHFFFAOYSA-N
XLogP2.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 116695800
1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol
CID 116695860
1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 64820712
1-[cyclopropylmethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 63956044
1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol
CID 116695799
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylpentane-1,5-diamine
CID 65254511
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine
CID 106707901
3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile
CID 63955665
N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine
CID 43478990
3-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-phenylpropanoic acid
CID 63939484
1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol
CID 106206889

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol?
The IUPAC name of 1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol (CID 116695809) is 1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol.
What is the SMILES notation for 1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol?
The canonical SMILES for 1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol is CCCN(CCC(O)(CN)c1ccccc1)CC1CC1.
What is the InChIKey of 1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol?
The InChIKey is ICLSPUIPEIORBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-11-19(13-15-8-9-15)12-10-17(20,14-18)16-6-4-3-5-7-16/h3-7,15,20H,2,8-14,18H2,1H3.
What are the key properties of 1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol?
1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol is sourced from PubChem (CID 116695809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).