2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine

C19H32ClN — CID 63521234

IUPAC2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
SMILESCCCCCCCCCC(CNC)Cc1ccccc1Cl
InChIInChI=1S/C19H32ClN/c1-3-4-5-6-7-8-9-12-17(16-21-2)15-18-13-10-11-14-19(18)20/h10-11,13-14,17,21H,3-9,12,15-16H2,1-2H3
InChIKeyRSYDISCCCQXHGQ-UHFFFAOYSA-N
MW309.92 g/mol
LogP5.86
Rot. Bonds12

About 2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine

2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine (PubChem CID 63521234) has the molecular formula C19H32ClN and a molecular weight of 309.92 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
PubChem CID63521234
Molecular FormulaC19H32ClN
Molecular Weight309.92 g/mol
Exact Mass309.22
IUPAC Name2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
SMILESCCCCCCCCCC(CNC)Cc1ccccc1Cl
InChIInChI=1S/C19H32ClN/c1-3-4-5-6-7-8-9-12-17(16-21-2)15-18-13-10-11-14-19(18)20/h10-11,13-14,17,21H,3-9,12,15-16H2,1-2H3
InChIKeyRSYDISCCCQXHGQ-UHFFFAOYSA-N
XLogP5.86
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 ≤ 55.86
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

2-[(2-chlorophenyl)methyl]-N-propylnonan-1-amine
CID 63520885
N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63522844
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
2-benzyl-N-methyldecan-1-amine
CID 63498488
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
CID 63523387
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine
CID 63523561
2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169774
2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine
CID 83148905
2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729759

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine (CID 63521234) is 2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine is CCCCCCCCCC(CNC)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine?
The InChIKey is RSYDISCCCQXHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN/c1-3-4-5-6-7-8-9-12-17(16-21-2)15-18-13-10-11-14-19(18)20/h10-11,13-14,17,21H,3-9,12,15-16H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine?
2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine has a molecular weight of 309.92 g/mol, XLogP of 5.86, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine is sourced from PubChem (CID 63521234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).