N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine

C14H20ClN — CID 106816843

IUPACN-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine
SMILESCc1ccc(CNC(C)CC2CC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-10-3-4-13(8-14(10)15)9-16-11(2)7-12-5-6-12/h3-4,8,11-12,16H,5-7,9H2,1-2H3
InChIKeyPMRGEUJLDQLNRR-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.93
Rot. Bonds5

About N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine

N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine (PubChem CID 106816843) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine
PubChem CID106816843
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine
SMILESCc1ccc(CNC(C)CC2CC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-10-3-4-13(8-14(10)15)9-16-11(2)7-12-5-6-12/h3-4,8,11-12,16H,5-7,9H2,1-2H3
InChIKeyPMRGEUJLDQLNRR-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 81145628
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine
CID 106816243
1-cyclobutyl-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 115712467
N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfinylpropan-2-amine
CID 106817133
4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol
CID 115722404
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 106816198
1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
CID 63988276
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 106816651
1-cyclobutyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propan-2-amine
CID 115706310
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 115762374
2-[(3-chloro-4-methylphenyl)methylamino]-2-(oxan-4-yl)acetic acid
CID 166253483
1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine
CID 115707907

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine (CID 106816843) is N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine is Cc1ccc(CNC(C)CC2CC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine?
The InChIKey is PMRGEUJLDQLNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-3-4-13(8-14(10)15)9-16-11(2)7-12-5-6-12/h3-4,8,11-12,16H,5-7,9H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine?
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine has a molecular weight of 237.77 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine is sourced from PubChem (CID 106816843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).