2-chloro-N-hexan-3-ylaniline

C12H18ClN — CID 91251146

IUPAC2-chloro-N-hexan-3-ylaniline
SMILESCCCC(CC)Nc1ccccc1Cl
InChIInChI=1S/C12H18ClN/c1-3-7-10(4-2)14-12-9-6-5-8-11(12)13/h5-6,8-10,14H,3-4,7H2,1-2H3
InChIKeyUOBBGXDDMSOVKL-UHFFFAOYSA-N
MW211.74 g/mol
LogP4.33
Rot. Bonds5

About 2-chloro-N-hexan-3-ylaniline

2-chloro-N-hexan-3-ylaniline (PubChem CID 91251146) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 2-chloro-N-hexan-3-ylaniline.

Molecular Properties

Compound Name2-chloro-N-hexan-3-ylaniline
PubChem CID91251146
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name2-chloro-N-hexan-3-ylaniline
SMILESCCCC(CC)Nc1ccccc1Cl
InChIInChI=1S/C12H18ClN/c1-3-7-10(4-2)14-12-9-6-5-8-11(12)13/h5-6,8-10,14H,3-4,7H2,1-2H3
InChIKeyUOBBGXDDMSOVKL-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-heptan-4-ylaniline
CID 29274819
2-N-(2-chlorophenyl)butane-1,2-diamine
CID 65377716
2-chloro-N-(5-methylheptan-3-yl)aniline
CID 43095365
N-(2-chlorophenyl)-N'-heptan-4-ylmethanediamine
CID 137427135
2-(hexan-3-ylamino)benzoic acid
CID 62230532
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 62119140
2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 62119321
2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 62119141
5-bromo-2-chloro-N-heptan-4-ylaniline
CID 63478782
2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine
CID 65377307
2-chloro-6-(octan-4-ylamino)benzonitrile
CID 114138220

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hexan-3-ylaniline?
The IUPAC name of 2-chloro-N-hexan-3-ylaniline (CID 91251146) is 2-chloro-N-hexan-3-ylaniline.
What is the SMILES notation for 2-chloro-N-hexan-3-ylaniline?
The canonical SMILES for 2-chloro-N-hexan-3-ylaniline is CCCC(CC)Nc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-hexan-3-ylaniline?
The InChIKey is UOBBGXDDMSOVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-3-7-10(4-2)14-12-9-6-5-8-11(12)13/h5-6,8-10,14H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-N-hexan-3-ylaniline?
2-chloro-N-hexan-3-ylaniline has a molecular weight of 211.74 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hexan-3-ylaniline is sourced from PubChem (CID 91251146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).