1-(4-chlorophenyl)hexan-3-amine

C12H18ClN — CID 43370464

IUPAC1-(4-chlorophenyl)hexan-3-amine
SMILESCCCC(N)CCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-2-3-12(14)9-6-10-4-7-11(13)8-5-10/h4-5,7-8,12H,2-3,6,9,14H2,1H3
InChIKeyXXRUVSABPGLWFB-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.40
Rot. Bonds5

About 1-(4-chlorophenyl)hexan-3-amine

1-(4-chlorophenyl)hexan-3-amine (PubChem CID 43370464) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)hexan-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)hexan-3-amine
PubChem CID43370464
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name1-(4-chlorophenyl)hexan-3-amine
SMILESCCCC(N)CCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-2-3-12(14)9-6-10-4-7-11(13)8-5-10/h4-5,7-8,12H,2-3,6,9,14H2,1H3
InChIKeyXXRUVSABPGLWFB-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)pentan-2-amine
CID 60820343
(3R)-1-phenylhexan-3-amine
CID 66612996
4-(4-chlorophenyl)-1-methoxybutan-2-amine
CID 62321130
1-pyridin-4-ylhexan-3-amine
CID 105080578
1-(2,4-dichlorophenyl)hexan-3-amine
CID 43370461
1-amino-3-(4-chlorophenyl)propan-1-ol
CID 68900643
4-[4-(4-chlorophenyl)phenyl]butan-2-amine
CID 82541976
4-(4-aminoheptyl)aniline
CID 83928416
1-(2,6-dichlorophenyl)hexan-3-amine
CID 43175876
1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833
1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine
CID 70640715
1-(3-bromopentyl)-4-chlorobenzene
CID 63470473

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)hexan-3-amine?
The IUPAC name of 1-(4-chlorophenyl)hexan-3-amine (CID 43370464) is 1-(4-chlorophenyl)hexan-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)hexan-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)hexan-3-amine is CCCC(N)CCc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)hexan-3-amine?
The InChIKey is XXRUVSABPGLWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-2-3-12(14)9-6-10-4-7-11(13)8-5-10/h4-5,7-8,12H,2-3,6,9,14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)hexan-3-amine?
1-(4-chlorophenyl)hexan-3-amine has a molecular weight of 211.74 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)hexan-3-amine is sourced from PubChem (CID 43370464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).