3-(4-chloro-3-methylphenyl)butan-1-amine

C11H16ClN — CID 82398517

IUPAC3-(4-chloro-3-methylphenyl)butan-1-amine
SMILESCc1cc(C(C)CCN)ccc1Cl
InChIInChI=1S/C11H16ClN/c1-8(5-6-13)10-3-4-11(12)9(2)7-10/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyCBQRKAWBRPRIMO-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.10
Rot. Bonds3

About 3-(4-chloro-3-methylphenyl)butan-1-amine

3-(4-chloro-3-methylphenyl)butan-1-amine (PubChem CID 82398517) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenyl)butan-1-amine
PubChem CID82398517
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name3-(4-chloro-3-methylphenyl)butan-1-amine
SMILESCc1cc(C(C)CCN)ccc1Cl
InChIInChI=1S/C11H16ClN/c1-8(5-6-13)10-3-4-11(12)9(2)7-10/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyCBQRKAWBRPRIMO-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-chloro-3-(2-chlorophenyl)phenyl]butan-1-amine
CID 82542679
3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine
CID 117097180
1-chloro-2-methyl-4-pent-4-yn-2-ylbenzene
CID 83937359
1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
CID 55274034
3-(3-ethyl-4-methylphenyl)butan-1-amine
CID 117282743
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
3-(4-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782148
(1S)-1-(3-chloro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171223987
4-(4-chloro-3-methylphenyl)pentane-1,2-diol
CID 83937440
2-[5-(4-aminobutan-2-yl)-2-chlorophenyl]-N,N-dimethylaniline
CID 110447549
3-(4,5-dichloro-2-methylphenyl)butan-1-amine
CID 84795234
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenyl)butan-1-amine?
The IUPAC name of 3-(4-chloro-3-methylphenyl)butan-1-amine (CID 82398517) is 3-(4-chloro-3-methylphenyl)butan-1-amine.
What is the SMILES notation for 3-(4-chloro-3-methylphenyl)butan-1-amine?
The canonical SMILES for 3-(4-chloro-3-methylphenyl)butan-1-amine is Cc1cc(C(C)CCN)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylphenyl)butan-1-amine?
The InChIKey is CBQRKAWBRPRIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-8(5-6-13)10-3-4-11(12)9(2)7-10/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 3-(4-chloro-3-methylphenyl)butan-1-amine?
3-(4-chloro-3-methylphenyl)butan-1-amine has a molecular weight of 197.71 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenyl)butan-1-amine is sourced from PubChem (CID 82398517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).