N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine

C15H23ClN2 — CID 115244439

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCC1(CN)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2/c1-14(2,12-3-5-13(16)6-4-12)10-18-11-15(9-17)7-8-15/h3-6,18H,7-11,17H2,1-2H3
InChIKeyQMLRCWLELMGZHE-UHFFFAOYSA-N
MW266.82 g/mol
LogP2.95
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine (PubChem CID 115244439) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine
PubChem CID115244439
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCC1(CN)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2/c1-14(2,12-3-5-13(16)6-4-12)10-18-11-15(9-17)7-8-15/h3-6,18H,7-11,17H2,1-2H3
InChIKeyQMLRCWLELMGZHE-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 115244454
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115249649
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine
CID 115245998
[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
CID 115229593
N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196146
1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine
CID 115257113
2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216485
1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222567
2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine
CID 82090050
1-[[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257119
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115249662
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,2,3,3-tetramethylbutan-1-amine
CID 115245990

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine (CID 115244439) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine is CC(C)(CNCC1(CN)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine?
The InChIKey is QMLRCWLELMGZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-14(2,12-3-5-13(16)6-4-12)10-18-11-15(9-17)7-8-15/h3-6,18H,7-11,17H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115244439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).