1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine

C14H22ClN — CID 105028693

IUPAC1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine
SMILESCc1ccc(C(N)CCCC(C)C)cc1Cl
InChIInChI=1S/C14H22ClN/c1-10(2)5-4-6-14(16)12-8-7-11(3)13(15)9-12/h7-10,14H,4-6,16H2,1-3H3
InChIKeyBAAKEAPDSXSPIV-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.47
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine

1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine (PubChem CID 105028693) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine
PubChem CID105028693
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine
SMILESCc1ccc(C(N)CCCC(C)C)cc1Cl
InChIInChI=1S/C14H22ClN/c1-10(2)5-4-6-14(16)12-8-7-11(3)13(15)9-12/h7-10,14H,4-6,16H2,1-3H3
InChIKeyBAAKEAPDSXSPIV-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol
CID 171204447
(1S)-1-(3-chloro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171223987
(1R)-1-(3-chloro-4-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171204415
[1-(3-chloro-4-methylphenyl)-5-methylhexyl]hydrazine
CID 105331315
(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine
CID 131569860
(1S)-1-(3-chloro-4-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171223999
1-(3-chloro-4-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 107560319
1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834684
(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131561553
1-(3-chloro-4-methylphenyl)-2-phenylethanamine
CID 55162176
(1R)-1-(3-chloro-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 130856721
2-[(3-chloro-4-methylphenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107561213

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine (CID 105028693) is 1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine is Cc1ccc(C(N)CCCC(C)C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine?
The InChIKey is BAAKEAPDSXSPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-10(2)5-4-6-14(16)12-8-7-11(3)13(15)9-12/h7-10,14H,4-6,16H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine?
1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine is sourced from PubChem (CID 105028693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).