1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine

C16H26ClN — CID 106867862

IUPAC1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
SMILESCCCCCCC(Cc1ccc(C)cc1Cl)NC
InChIInChI=1S/C16H26ClN/c1-4-5-6-7-8-15(18-3)12-14-10-9-13(2)11-16(14)17/h9-11,15,18H,4-8,12H2,1-3H3
InChIKeyQCCKQXBVCGVDNC-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.75
Rot. Bonds8

About 1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine

1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine (PubChem CID 106867862) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
PubChem CID106867862
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
SMILESCCCCCCC(Cc1ccc(C)cc1Cl)NC
InChIInChI=1S/C16H26ClN/c1-4-5-6-7-8-15(18-3)12-14-10-9-13(2)11-16(14)17/h9-11,15,18H,4-8,12H2,1-3H3
InChIKeyQCCKQXBVCGVDNC-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
CID 106866712
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 106865944
1-(4-bromo-2-chlorophenyl)octan-2-ylhydrazine
CID 105335285
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-(3-chloro-2-fluorophenyl)-N-methylundecan-2-amine
CID 82789169
1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
CID 115844394
1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine
CID 115844762
N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine (CID 106867862) is 1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine is CCCCCCC(Cc1ccc(C)cc1Cl)NC.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine?
The InChIKey is QCCKQXBVCGVDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-4-5-6-7-8-15(18-3)12-14-10-9-13(2)11-16(14)17/h9-11,15,18H,4-8,12H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine?
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine has a molecular weight of 267.84 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine is sourced from PubChem (CID 106867862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).