1-(2-chlorophenyl)-2-ethylhexan-1-amine

C14H22ClN — CID 115800977

IUPAC1-(2-chlorophenyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)C(N)c1ccccc1Cl
InChIInChI=1S/C14H22ClN/c1-3-5-8-11(4-2)14(16)12-9-6-7-10-13(12)15/h6-7,9-11,14H,3-5,8,16H2,1-2H3
InChIKeyHARGUMBFZUYEEC-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.56
Rot. Bonds6

About 1-(2-chlorophenyl)-2-ethylhexan-1-amine

1-(2-chlorophenyl)-2-ethylhexan-1-amine (PubChem CID 115800977) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-ethylhexan-1-amine
PubChem CID115800977
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(2-chlorophenyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)C(N)c1ccccc1Cl
InChIInChI=1S/C14H22ClN/c1-3-5-8-11(4-2)14(16)12-9-6-7-10-13(12)15/h6-7,9-11,14H,3-5,8,16H2,1-2H3
InChIKeyHARGUMBFZUYEEC-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(1-iodopentyl)benzene
CID 126727216
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
2-(2-chlorophenyl)nonan-1-amine
CID 79448666
1-(3-chloro-2-fluorophenyl)pentan-1-amine
CID 64713451
1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine
CID 105049013
6-(2-chlorophenyl)heptan-3-amine
CID 83924191
[1-(3-chloro-2-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 102868832
1-chloro-2-(1-chlorobutyl)benzene
CID 18417584
[2-ethyl-1-(2-methylphenyl)hexyl]hydrazine
CID 105286043

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-ethylhexan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-2-ethylhexan-1-amine (CID 115800977) is 1-(2-chlorophenyl)-2-ethylhexan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-ethylhexan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-2-ethylhexan-1-amine is CCCCC(CC)C(N)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-ethylhexan-1-amine?
The InChIKey is HARGUMBFZUYEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-3-5-8-11(4-2)14(16)12-9-6-7-10-13(12)15/h6-7,9-11,14H,3-5,8,16H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-ethylhexan-1-amine?
1-(2-chlorophenyl)-2-ethylhexan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-ethylhexan-1-amine is sourced from PubChem (CID 115800977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).