1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol

C15H24N2O — CID 43165876

IUPAC1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol
SMILESCc1ccc(CN(C)CC(O)CNC2CC2)cc1
InChIInChI=1S/C15H24N2O/c1-12-3-5-13(6-4-12)10-17(2)11-15(18)9-16-14-7-8-14/h3-6,14-16,18H,7-11H2,1-2H3
InChIKeyAKRLRKQDBGWPSB-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.54
Rot. Bonds7

About 1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol

1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol (PubChem CID 43165876) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol
PubChem CID43165876
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol
SMILESCc1ccc(CN(C)CC(O)CNC2CC2)cc1
InChIInChI=1S/C15H24N2O/c1-12-3-5-13(6-4-12)10-17(2)11-15(18)9-16-14-7-8-14/h3-6,14-16,18H,7-11H2,1-2H3
InChIKeyAKRLRKQDBGWPSB-UHFFFAOYSA-N
XLogP1.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol
CID 61416955
1-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
CID 63695532
1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 83043630
(2S)-1-[benzyl(methyl)amino]-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95610620
(2S)-1-[benzyl(methyl)amino]-3-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95610619
1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol
CID 63693072
1-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63726987
1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62558539
1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol
CID 105414257
N-[2-[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346925

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol (CID 43165876) is 1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol is Cc1ccc(CN(C)CC(O)CNC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol?
The InChIKey is AKRLRKQDBGWPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-3-5-13(6-4-12)10-17(2)11-15(18)9-16-14-7-8-14/h3-6,14-16,18H,7-11H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol?
1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 43165876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).