N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine

C14H20ClN — CID 115455608

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(CNCC2(CCl)CC2)c1
InChIInChI=1S/C14H20ClN/c1-11-5-12(2)7-13(6-11)8-16-10-14(9-15)3-4-14/h5-7,16H,3-4,8-10H2,1-2H3
InChIKeyNZOKBYBBGDZWEI-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.41
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine

N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine (PubChem CID 115455608) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine
PubChem CID115455608
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(CNCC2(CCl)CC2)c1
InChIInChI=1S/C14H20ClN/c1-11-5-12(2)7-13(6-11)8-16-10-14(9-15)3-4-14/h5-7,16H,3-4,8-10H2,1-2H3
InChIKeyNZOKBYBBGDZWEI-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-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine
CID 115455557
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-chloro-4-methylphenyl)methanamine
CID 106869882
1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094805
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 102879073
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 113313423
1-(3-bromo-4-methoxyphenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455659
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
CID 115244764
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine
CID 114757611
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(3,4-dichlorophenyl)methanamine
CID 103969053
3-chloro-N-[(3,5-dimethylphenyl)methyl]propan-1-amine
CID 65026271
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 115244718
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine
CID 115455705

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine (CID 115455608) is N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(CNCC2(CCl)CC2)c1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine?
The InChIKey is NZOKBYBBGDZWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11-5-12(2)7-13(6-11)8-16-10-14(9-15)3-4-14/h5-7,16H,3-4,8-10H2,1-2H3.
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine?
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-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-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 115455608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).