1-(3-chlorophenyl)-N-methyldodecan-2-amine

C19H32ClN — CID 63412373

IUPAC1-(3-chlorophenyl)-N-methyldodecan-2-amine
SMILESCCCCCCCCCCC(Cc1cccc(Cl)c1)NC
InChIInChI=1S/C19H32ClN/c1-3-4-5-6-7-8-9-10-14-19(21-2)16-17-12-11-13-18(20)15-17/h11-13,15,19,21H,3-10,14,16H2,1-2H3
InChIKeyRZBZVDNXICKKMG-UHFFFAOYSA-N
MW309.92 g/mol
LogP6.00
Rot. Bonds12

About 1-(3-chlorophenyl)-N-methyldodecan-2-amine

1-(3-chlorophenyl)-N-methyldodecan-2-amine (PubChem CID 63412373) has the molecular formula C19H32ClN and a molecular weight of 309.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyldodecan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyldodecan-2-amine
PubChem CID63412373
Molecular FormulaC19H32ClN
Molecular Weight309.92 g/mol
Exact Mass309.22
IUPAC Name1-(3-chlorophenyl)-N-methyldodecan-2-amine
SMILESCCCCCCCCCCC(Cc1cccc(Cl)c1)NC
InChIInChI=1S/C19H32ClN/c1-3-4-5-6-7-8-9-10-14-19(21-2)16-17-12-11-13-18(20)15-17/h11-13,15,19,21H,3-10,14,16H2,1-2H3
InChIKeyRZBZVDNXICKKMG-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.92
LogP ≤ 56.00
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-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215
N-methyl-1-phenyldecan-2-amine
CID 63412341
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-chloro-3-(2-chloroheptyl)benzene
CID 63544270
1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
CID 62600516
1-chloro-3-[2-(chloromethyl)octyl]benzene
CID 66047919
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-[2-(bromomethyl)octyl]-3-chlorobenzene
CID 66042522
1-(3-chlorophenyl)-6-methyl-N-propylheptan-2-amine
CID 83162303
1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474158

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyldodecan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyldodecan-2-amine (CID 63412373) is 1-(3-chlorophenyl)-N-methyldodecan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyldodecan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyldodecan-2-amine is CCCCCCCCCCC(Cc1cccc(Cl)c1)NC.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyldodecan-2-amine?
The InChIKey is RZBZVDNXICKKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN/c1-3-4-5-6-7-8-9-10-14-19(21-2)16-17-12-11-13-18(20)15-17/h11-13,15,19,21H,3-10,14,16H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyldodecan-2-amine?
1-(3-chlorophenyl)-N-methyldodecan-2-amine has a molecular weight of 309.92 g/mol, XLogP of 6.00, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyldodecan-2-amine is sourced from PubChem (CID 63412373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).