N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine

C18H22N2 — CID 43575847

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
SMILESNCc1ccc(CN(Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C18H22N2/c19-12-15-6-8-17(9-7-15)14-20(18-10-11-18)13-16-4-2-1-3-5-16/h1-9,18H,10-14,19H2
InChIKeyGLCIEAZRJBOXLQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.31
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine

N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine (PubChem CID 43575847) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
PubChem CID43575847
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
SMILESNCc1ccc(CN(Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C18H22N2/c19-12-15-6-8-17(9-7-15)14-20(18-10-11-18)13-16-4-2-1-3-5-16/h1-9,18H,10-14,19H2
InChIKeyGLCIEAZRJBOXLQ-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine
CID 107113137
N,N-dibenzylcyclobutanamine
CID 70822586
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine
CID 43575852
4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
CID 43575140
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 61450995
4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol
CID 175052692
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
phenylmethanamine
CID 19864074
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine (CID 43575847) is N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine is NCc1ccc(CN(Cc2ccccc2)C2CC2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine?
The InChIKey is GLCIEAZRJBOXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-12-15-6-8-17(9-7-15)14-20(18-10-11-18)13-16-4-2-1-3-5-16/h1-9,18H,10-14,19H2.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine?
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine has a molecular weight of 266.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine is sourced from PubChem (CID 43575847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).