1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine

C19H32ClN — CID 115845912

IUPAC1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
SMILESCCCCCCCCCCC(NC)c1cc(Cl)ccc1C
InChIInChI=1S/C19H32ClN/c1-4-5-6-7-8-9-10-11-12-19(21-3)18-15-17(20)14-13-16(18)2/h13-15,19,21H,4-12H2,1-3H3
InChIKeyHJFXSXHPARVIGD-UHFFFAOYSA-N
MW309.93 g/mol
LogP6.44
Rot. Bonds11

About 1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine

1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine (PubChem CID 115845912) has the molecular formula C19H32ClN and a molecular weight of 309.93 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
PubChem CID115845912
Molecular FormulaC19H32ClN
Molecular Weight309.93 g/mol
Exact Mass309.22
IUPAC Name1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
SMILESCCCCCCCCCCC(NC)c1cc(Cl)ccc1C
InChIInChI=1S/C19H32ClN/c1-4-5-6-7-8-9-10-11-12-19(21-3)18-15-17(20)14-13-16(18)2/h13-15,19,21H,4-12H2,1-3H3
InChIKeyHJFXSXHPARVIGD-UHFFFAOYSA-N
XLogP6.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.93
LogP ≤ 56.44
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-(5-chloro-2-methylphenyl)-N-methylnonan-1-amine
CID 115835500
1-(2,5-dichlorophenyl)-N-methylnonan-1-amine
CID 65449520
1-(2,5-dichlorophenyl)-N-methyldecan-1-amine
CID 65449519
1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
CID 115837624
1-(2,5-dichlorophenyl)-N-methylhexan-1-amine
CID 43486640
1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine
CID 115833849
1-(5-chloro-2-methylphenyl)-3-ethyl-N-methylheptan-1-amine
CID 115806267
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028577
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine
CID 115837280

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine (CID 115845912) is 1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine is CCCCCCCCCCC(NC)c1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine?
The InChIKey is HJFXSXHPARVIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN/c1-4-5-6-7-8-9-10-11-12-19(21-3)18-15-17(20)14-13-16(18)2/h13-15,19,21H,4-12H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine?
1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine has a molecular weight of 309.93 g/mol, XLogP of 6.44, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine is sourced from PubChem (CID 115845912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).