1-(4-chlorophenyl)-N-propyldecan-2-amine

C19H32ClN — CID 63413044

IUPAC1-(4-chlorophenyl)-N-propyldecan-2-amine
SMILESCCCCCCCCC(Cc1ccc(Cl)cc1)NCCC
InChIInChI=1S/C19H32ClN/c1-3-5-6-7-8-9-10-19(21-15-4-2)16-17-11-13-18(20)14-12-17/h11-14,19,21H,3-10,15-16H2,1-2H3
InChIKeyFFEJYNGLVXFDLP-UHFFFAOYSA-N
MW309.93 g/mol
LogP6.00
Rot. Bonds12

About 1-(4-chlorophenyl)-N-propyldecan-2-amine

1-(4-chlorophenyl)-N-propyldecan-2-amine (PubChem CID 63413044) has the molecular formula C19H32ClN and a molecular weight of 309.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-propyldecan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-propyldecan-2-amine
PubChem CID63413044
Molecular FormulaC19H32ClN
Molecular Weight309.93 g/mol
Exact Mass309.22
IUPAC Name1-(4-chlorophenyl)-N-propyldecan-2-amine
SMILESCCCCCCCCC(Cc1ccc(Cl)cc1)NCCC
InChIInChI=1S/C19H32ClN/c1-3-5-6-7-8-9-10-19(21-15-4-2)16-17-11-13-18(20)14-12-17/h11-14,19,21H,3-10,15-16H2,1-2H3
InChIKeyFFEJYNGLVXFDLP-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 ≤ 500309.93
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-(4-ethylphenyl)-N-propylnonan-2-amine
CID 115803240
1-(4-iodophenyl)-N-propyldecan-2-amine
CID 115864004
1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 62601304
1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 63412958
4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093417
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine
CID 103043062
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
N-ethyl-1-(4-methylphenyl)nonan-2-amine
CID 63415851
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-propyldecan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-propyldecan-2-amine (CID 63413044) is 1-(4-chlorophenyl)-N-propyldecan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-propyldecan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-propyldecan-2-amine is CCCCCCCCC(Cc1ccc(Cl)cc1)NCCC.
What is the InChIKey of 1-(4-chlorophenyl)-N-propyldecan-2-amine?
The InChIKey is FFEJYNGLVXFDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN/c1-3-5-6-7-8-9-10-19(21-15-4-2)16-17-11-13-18(20)14-12-17/h11-14,19,21H,3-10,15-16H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-propyldecan-2-amine?
1-(4-chlorophenyl)-N-propyldecan-2-amine has a molecular weight of 309.93 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-(4-chlorophenyl)-N-propyldecan-2-amine is sourced from PubChem (CID 63413044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).