N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine

C14H20ClN — CID 115455557

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(CNCC2(CCl)CC2)cc1C
InChIInChI=1S/C14H20ClN/c1-11-3-4-13(7-12(11)2)8-16-10-14(9-15)5-6-14/h3-4,7,16H,5-6,8-10H2,1-2H3
InChIKeyBLSLAELFTZQNBM-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.41
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine

N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine (PubChem CID 115455557) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine
PubChem CID115455557
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(CNCC2(CCl)CC2)cc1C
InChIInChI=1S/C14H20ClN/c1-11-3-4-13(7-12(11)2)8-16-10-14(9-15)5-6-14/h3-4,7,16H,5-6,8-10H2,1-2H3
InChIKeyBLSLAELFTZQNBM-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine
CID 114757611
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 113313423
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine
CID 115455608
1-(3-bromo-4-methoxyphenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455659
3-[[(3,4-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629682
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(3,4-dichlorophenyl)methanamine
CID 103969053
2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 99839662
1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099677
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-chloro-4-methylphenyl)methanamine
CID 106869882

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine (CID 115455557) is N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine is Cc1ccc(CNCC2(CCl)CC2)cc1C.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine?
The InChIKey is BLSLAELFTZQNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11-3-4-13(7-12(11)2)8-16-10-14(9-15)5-6-14/h3-4,7,16H,5-6,8-10H2,1-2H3.
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine?
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine has a molecular weight of 237.77 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 115455557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).