N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine

C13H20N2 — CID 115244158

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine
SMILESCc1ccccc1CNCC1(CN)CC1
InChIInChI=1S/C13H20N2/c1-11-4-2-3-5-12(11)8-15-10-13(9-14)6-7-13/h2-5,15H,6-10,14H2,1H3
InChIKeyTZBGKAJBFNHPFY-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.82
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine (PubChem CID 115244158) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine
PubChem CID115244158
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine
SMILESCc1ccccc1CNCC1(CN)CC1
InChIInChI=1S/C13H20N2/c1-11-4-2-3-5-12(11)8-15-10-13(9-14)6-7-13/h2-5,15H,6-10,14H2,1H3
InChIKeyTZBGKAJBFNHPFY-UHFFFAOYSA-N
XLogP1.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine
CID 82404323
1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine
CID 135079834
N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912363
[4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390377
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide
CID 115271407
4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol
CID 126846949
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine
CID 115244360
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 115244105
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118
N-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107023566

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine (CID 115244158) is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine is Cc1ccccc1CNCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine?
The InChIKey is TZBGKAJBFNHPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-4-2-3-5-12(11)8-15-10-13(9-14)6-7-13/h2-5,15H,6-10,14H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.82, 5 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]-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 115244158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).