chloromethane;1-phenyltridecan-1-amine

C20H36ClN — CID 175245788

IUPACchloromethane;1-phenyltridecan-1-amine
SMILESCCCCCCCCCCCCC(N)c1ccccc1.CCl
InChIInChI=1S/C19H33N.CH3Cl/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18;1-2/h11-13,15-16,19H,2-10,14,17,20H2,1H3;1H3
InChIKeyGBYYBRJCYNFXHT-UHFFFAOYSA-N
MW325.97 g/mol
LogP6.85
Rot. Bonds12

About chloromethane;1-phenyltridecan-1-amine

chloromethane;1-phenyltridecan-1-amine (PubChem CID 175245788) has the molecular formula C20H36ClN and a molecular weight of 325.97 g/mol. Its IUPAC name is chloromethane;1-phenyltridecan-1-amine.

Molecular Properties

Compound Namechloromethane;1-phenyltridecan-1-amine
PubChem CID175245788
Molecular FormulaC20H36ClN
Molecular Weight325.97 g/mol
Exact Mass325.25
IUPAC Namechloromethane;1-phenyltridecan-1-amine
SMILESCCCCCCCCCCCCC(N)c1ccccc1.CCl
InChIInChI=1S/C19H33N.CH3Cl/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18;1-2/h11-13,15-16,19H,2-10,14,17,20H2,1H3;1H3
InChIKeyGBYYBRJCYNFXHT-UHFFFAOYSA-N
XLogP6.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.97
LogP ≤ 56.85
H-Bond Donors ≤ 51
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

1-phenyldecan-1-amine
CID 43175860
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
1-phenylhexan-1-amine;hydrochloride
CID 3033249
N'-ethyl-N'-heptyl-1-phenylbutane-1,4-diamine
CID 174264549
1-(3-chlorophenyl)decan-1-amine
CID 63412045
3-methyl-1-phenylundecan-1-amine
CID 174237329
1-(3-chlorophenyl)undecan-1-amine
CID 63411961
1-(4-tert-butylphenyl)heptan-1-amine
CID 114752279
1-(4-tert-butylphenyl)decan-1-amine
CID 65449130
(1R)-1-(4-phenoxyphenyl)hexan-1-amine
CID 28979758
4-(1-aminooctyl)aniline
CID 137458153
4-butoxy-1-phenylbutan-1-amine
CID 61483795

Frequently Asked Questions

What is the IUPAC name of chloromethane;1-phenyltridecan-1-amine?
The IUPAC name of chloromethane;1-phenyltridecan-1-amine (CID 175245788) is chloromethane;1-phenyltridecan-1-amine.
What is the SMILES notation for chloromethane;1-phenyltridecan-1-amine?
The canonical SMILES for chloromethane;1-phenyltridecan-1-amine is CCCCCCCCCCCCC(N)c1ccccc1.CCl.
What is the InChIKey of chloromethane;1-phenyltridecan-1-amine?
The InChIKey is GBYYBRJCYNFXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N.CH3Cl/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18;1-2/h11-13,15-16,19H,2-10,14,17,20H2,1H3;1H3.
What are the key properties of chloromethane;1-phenyltridecan-1-amine?
chloromethane;1-phenyltridecan-1-amine has a molecular weight of 325.97 g/mol, XLogP of 6.85, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;1-phenyltridecan-1-amine is sourced from PubChem (CID 175245788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).