(3-methylphenyl)methanamine;hydrochloride

C8H12ClN — CID 18670917

IUPAC(3-methylphenyl)methanamine;hydrochloride
SMILESCc1cccc(CN)c1.Cl
InChIInChI=1S/C8H11N.ClH/c1-7-3-2-4-8(5-7)6-9;/h2-5H,6,9H2,1H3;1H
InChIKeyQXJXMRBRDXAQNT-UHFFFAOYSA-N
MW157.64 g/mol
LogP1.88
Rot. Bonds1

About (3-methylphenyl)methanamine;hydrochloride

(3-methylphenyl)methanamine;hydrochloride (PubChem CID 18670917) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (3-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-methylphenyl)methanamine;hydrochloride
PubChem CID18670917
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(3-methylphenyl)methanamine;hydrochloride
SMILESCc1cccc(CN)c1.Cl
InChIInChI=1S/C8H11N.ClH/c1-7-3-2-4-8(5-7)6-9;/h2-5H,6,9H2,1H3;1H
InChIKeyQXJXMRBRDXAQNT-UHFFFAOYSA-N
XLogP1.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-ethyl-3-methylbenzene;methanamine
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[3-(4-methylphenyl)phenyl]methanamine
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3-(3-methylphenyl)propan-1-amine
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[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
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N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284
CID 59201849
CID 59201849
3-(aminomethyl)aniline;dihydrochloride
CID 23346995
ethane;bis(1-ethyl-3-methylbenzene)
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[3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methanamine;hydrochloride?
The IUPAC name of (3-methylphenyl)methanamine;hydrochloride (CID 18670917) is (3-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (3-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for (3-methylphenyl)methanamine;hydrochloride is Cc1cccc(CN)c1.Cl.
What is the InChIKey of (3-methylphenyl)methanamine;hydrochloride?
The InChIKey is QXJXMRBRDXAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.ClH/c1-7-3-2-4-8(5-7)6-9;/h2-5H,6,9H2,1H3;1H.
What are the key properties of (3-methylphenyl)methanamine;hydrochloride?
(3-methylphenyl)methanamine;hydrochloride has a molecular weight of 157.64 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 18670917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).