11-chloro-N,N-dimethyl-11-phenylundecan-1-amine

C19H32ClN — CID 54460837

IUPAC11-chloro-N,N-dimethyl-11-phenylundecan-1-amine
SMILESCN(C)CCCCCCCCCCC(Cl)c1ccccc1
InChIInChI=1S/C19H32ClN/c1-21(2)17-13-8-6-4-3-5-7-12-16-19(20)18-14-10-9-11-15-18/h9-11,14-15,19H,3-8,12-13,16-17H2,1-2H3
InChIKeyXBMFUSYYYNKRBB-UHFFFAOYSA-N
MW309.92 g/mol
LogP6.04
Rot. Bonds12

About 11-chloro-N,N-dimethyl-11-phenylundecan-1-amine

11-chloro-N,N-dimethyl-11-phenylundecan-1-amine (PubChem CID 54460837) has the molecular formula C19H32ClN and a molecular weight of 309.92 g/mol. Its IUPAC name is 11-chloro-N,N-dimethyl-11-phenylundecan-1-amine.

Molecular Properties

Compound Name11-chloro-N,N-dimethyl-11-phenylundecan-1-amine
PubChem CID54460837
Molecular FormulaC19H32ClN
Molecular Weight309.92 g/mol
Exact Mass309.22
IUPAC Name11-chloro-N,N-dimethyl-11-phenylundecan-1-amine
SMILESCN(C)CCCCCCCCCCC(Cl)c1ccccc1
InChIInChI=1S/C19H32ClN/c1-21(2)17-13-8-6-4-3-5-7-12-16-19(20)18-14-10-9-11-15-18/h9-11,14-15,19H,3-8,12-13,16-17H2,1-2H3
InChIKeyXBMFUSYYYNKRBB-UHFFFAOYSA-N
XLogP6.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.92
LogP ≤ 56.04
H-Bond Donors ≤ 50
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

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(5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine
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CID 171986460
N-[7-(dimethylamino)-1-phenylheptyl]benzamide
CID 3027100
N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine
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N,N-dimethyl-4,8-diphenyloctan-1-amine
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(1-chloro-5-propan-2-ylsulfonylpentyl)benzene
CID 106732517
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Frequently Asked Questions

What is the IUPAC name of 11-chloro-N,N-dimethyl-11-phenylundecan-1-amine?
The IUPAC name of 11-chloro-N,N-dimethyl-11-phenylundecan-1-amine (CID 54460837) is 11-chloro-N,N-dimethyl-11-phenylundecan-1-amine.
What is the SMILES notation for 11-chloro-N,N-dimethyl-11-phenylundecan-1-amine?
The canonical SMILES for 11-chloro-N,N-dimethyl-11-phenylundecan-1-amine is CN(C)CCCCCCCCCCC(Cl)c1ccccc1.
What is the InChIKey of 11-chloro-N,N-dimethyl-11-phenylundecan-1-amine?
The InChIKey is XBMFUSYYYNKRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN/c1-21(2)17-13-8-6-4-3-5-7-12-16-19(20)18-14-10-9-11-15-18/h9-11,14-15,19H,3-8,12-13,16-17H2,1-2H3.
What are the key properties of 11-chloro-N,N-dimethyl-11-phenylundecan-1-amine?
11-chloro-N,N-dimethyl-11-phenylundecan-1-amine has a molecular weight of 309.92 g/mol, XLogP of 6.04, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-N,N-dimethyl-11-phenylundecan-1-amine is sourced from PubChem (CID 54460837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).