3-(4-chlorophenyl)-N-ethylheptan-4-amine

C15H24ClN — CID 83051946

IUPAC3-(4-chlorophenyl)-N-ethylheptan-4-amine
SMILESCCCC(NCC)C(CC)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-4-7-15(17-6-3)14(5-2)12-8-10-13(16)11-9-12/h8-11,14-15,17H,4-7H2,1-3H3
InChIKeyITTFSIWGUZBBNV-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.61
Rot. Bonds7

About 3-(4-chlorophenyl)-N-ethylheptan-4-amine

3-(4-chlorophenyl)-N-ethylheptan-4-amine (PubChem CID 83051946) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-ethylheptan-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-ethylheptan-4-amine
PubChem CID83051946
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name3-(4-chlorophenyl)-N-ethylheptan-4-amine
SMILESCCCC(NCC)C(CC)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-4-7-15(17-6-3)14(5-2)12-8-10-13(16)11-9-12/h8-11,14-15,17H,4-7H2,1-3H3
InChIKeyITTFSIWGUZBBNV-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-phenylheptan-4-amine
CID 83051533
2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine
CID 83051112
3-(3-chlorophenyl)-N-propylheptan-4-amine
CID 83051541
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
N-ethyl-1-methoxy-2-phenylhexan-3-amine
CID 103466366
3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine
CID 64619681
1-chloro-4-(1-chloro-3-methylhexan-2-yl)benzene
CID 107893267
1-(1-bromo-2-propylpentyl)-4-chlorobenzene
CID 82987632
1-(4-chlorophenyl)butane-1-thiol
CID 57054877
1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 61066271
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-ethylheptan-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-ethylheptan-4-amine (CID 83051946) is 3-(4-chlorophenyl)-N-ethylheptan-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-ethylheptan-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-ethylheptan-4-amine is CCCC(NCC)C(CC)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-ethylheptan-4-amine?
The InChIKey is ITTFSIWGUZBBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-7-15(17-6-3)14(5-2)12-8-10-13(16)11-9-12/h8-11,14-15,17H,4-7H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-N-ethylheptan-4-amine?
3-(4-chlorophenyl)-N-ethylheptan-4-amine has a molecular weight of 253.82 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-ethylheptan-4-amine is sourced from PubChem (CID 83051946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).