1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol

C14H21ClN2O — CID 61416955

IUPAC1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol
SMILESCN(Cc1ccccc1Cl)CC(O)CNC1CC1
InChIInChI=1S/C14H21ClN2O/c1-17(9-11-4-2-3-5-14(11)15)10-13(18)8-16-12-6-7-12/h2-5,12-13,16,18H,6-10H2,1H3
InChIKeyNNLQDBWWMPNNEY-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.88
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol

1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol (PubChem CID 61416955) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol
PubChem CID61416955
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol
SMILESCN(Cc1ccccc1Cl)CC(O)CNC1CC1
InChIInChI=1S/C14H21ClN2O/c1-17(9-11-4-2-3-5-14(11)15)10-13(18)8-16-12-6-7-12/h2-5,12-13,16,18H,6-10H2,1H3
InChIKeyNNLQDBWWMPNNEY-UHFFFAOYSA-N
XLogP1.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-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-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol
CID 61416953
1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol
CID 103159801
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 62411722
1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol
CID 43165876
1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
CID 115475001
1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
CID 43090643
4-[(2-chlorophenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 82777064
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087963
1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 61420561
1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 43272018
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 62305455

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol (CID 61416955) is 1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol is CN(Cc1ccccc1Cl)CC(O)CNC1CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol?
The InChIKey is NNLQDBWWMPNNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17(9-11-4-2-3-5-14(11)15)10-13(18)8-16-12-6-7-12/h2-5,12-13,16,18H,6-10H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol?
1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol has a molecular weight of 268.79 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 61416955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).