N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine

C12H16ClN — CID 104853922

IUPACN-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
SMILESCc1cc(Cl)ccc1CNCC1CC1
InChIInChI=1S/C12H16ClN/c1-9-6-12(13)5-4-11(9)8-14-7-10-2-3-10/h4-6,10,14H,2-3,7-8H2,1H3
InChIKeyINZDZIPTHKLIOE-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.15
Rot. Bonds4

About N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine

N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine (PubChem CID 104853922) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
PubChem CID104853922
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
SMILESCc1cc(Cl)ccc1CNCC1CC1
InChIInChI=1S/C12H16ClN/c1-9-6-12(13)5-4-11(9)8-14-7-10-2-3-10/h4-6,10,14H,2-3,7-8H2,1H3
InChIKeyINZDZIPTHKLIOE-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114842332
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine
CID 114146496
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
N-[(4-chloro-2-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 114075414
N-[(4-chloro-2-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 113461461
2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 113461466
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 104854183
3-[(4-chloro-2-methylphenyl)methylamino]propan-1-ol
CID 104853816
N-[(4-chloro-2-methylphenyl)methyl]but-2-yn-1-amine
CID 104854390
4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
CID 25163929

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine (CID 104853922) is N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine is Cc1cc(Cl)ccc1CNCC1CC1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine?
The InChIKey is INZDZIPTHKLIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-6-12(13)5-4-11(9)8-14-7-10-2-3-10/h4-6,10,14H,2-3,7-8H2,1H3.
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine?
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine has a molecular weight of 209.72 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine is sourced from PubChem (CID 104853922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).