6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine

C14H22ClN — CID 107845610

IUPAC6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine
SMILESCc1cccc(CNCCCCCCCl)c1
InChIInChI=1S/C14H22ClN/c1-13-7-6-8-14(11-13)12-16-10-5-3-2-4-9-15/h6-8,11,16H,2-5,9-10,12H2,1H3
InChIKeyZMVMEEHIXQVPSA-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.88
Rot. Bonds8

About 6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine

6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine (PubChem CID 107845610) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine
PubChem CID107845610
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine
SMILESCc1cccc(CNCCCCCCCl)c1
InChIInChI=1S/C14H22ClN/c1-13-7-6-8-14(11-13)12-16-10-5-3-2-4-9-15/h6-8,11,16H,2-5,9-10,12H2,1H3
InChIKeyZMVMEEHIXQVPSA-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-12-chlorododecan-1-amine
CID 175007443
3-chloro-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 115215880
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69241095
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
3-chloro-N-[(3,5-dimethylphenyl)methyl]propan-1-amine
CID 65026271
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
4-chloro-N-[(2,5-dimethylphenyl)methyl]butan-1-amine
CID 106844225
6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine
CID 107845960
methyl 4-[(3-methylphenyl)methylamino]butanoate
CID 60694757
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
CID 4722820

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine?
The IUPAC name of 6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine (CID 107845610) is 6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine.
What is the SMILES notation for 6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine?
The canonical SMILES for 6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine is Cc1cccc(CNCCCCCCCl)c1.
What is the InChIKey of 6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine?
The InChIKey is ZMVMEEHIXQVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-13-7-6-8-14(11-13)12-16-10-5-3-2-4-9-15/h6-8,11,16H,2-5,9-10,12H2,1H3.
What are the key properties of 6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine?
6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 107845610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).