1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine

C12H18N2 — CID 115018324

IUPAC1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine
SMILESCN(C)C1(c2ccc(CN)cc2)CC1
InChIInChI=1S/C12H18N2/c1-14(2)12(7-8-12)11-5-3-10(9-13)4-6-11/h3-6H,7-9,13H2,1-2H3
InChIKeyPBIMCPBANOMUCJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.70
Rot. Bonds3

About 1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine

1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine (PubChem CID 115018324) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine
PubChem CID115018324
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine
SMILESCN(C)C1(c2ccc(CN)cc2)CC1
InChIInChI=1S/C12H18N2/c1-14(2)12(7-8-12)11-5-3-10(9-13)4-6-11/h3-6H,7-9,13H2,1-2H3
InChIKeyPBIMCPBANOMUCJ-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)phenyl]cyclopropan-1-amine
CID 55270414
[4-(3-methyldiazirin-3-yl)phenyl]methanamine
CID 163612926
ethane;(4-fluorophenyl)methanamine
CID 142071105
CID 153380718
CID 153380718
[4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride
CID 163342162
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
CID 123134602
[4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine
CID 115039785
5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one
CID 105474478
1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid
CID 130202617
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline
CID 43568641
[4-(2-methylsilyloxan-2-yl)phenyl]methanamine
CID 174455300
[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
CID 115039154

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine (CID 115018324) is 1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine is CN(C)C1(c2ccc(CN)cc2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine?
The InChIKey is PBIMCPBANOMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-14(2)12(7-8-12)11-5-3-10(9-13)4-6-11/h3-6H,7-9,13H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine?
1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine is sourced from PubChem (CID 115018324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).