(3-chloro-5-methylphenyl)methanamine

C8H10ClN — CID 51000146

IUPAC(3-chloro-5-methylphenyl)methanamine
SMILESCc1cc(Cl)cc(CN)c1
InChIInChI=1S/C8H10ClN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,5,10H2,1H3
InChIKeyYIUQWUGXTNVAOV-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.11
Rot. Bonds1

About (3-chloro-5-methylphenyl)methanamine

(3-chloro-5-methylphenyl)methanamine (PubChem CID 51000146) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)methanamine
PubChem CID51000146
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name(3-chloro-5-methylphenyl)methanamine
SMILESCc1cc(Cl)cc(CN)c1
InChIInChI=1S/C8H10ClN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,5,10H2,1H3
InChIKeyYIUQWUGXTNVAOV-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)methanamine?
The IUPAC name of (3-chloro-5-methylphenyl)methanamine (CID 51000146) is (3-chloro-5-methylphenyl)methanamine.
What is the SMILES notation for (3-chloro-5-methylphenyl)methanamine?
The canonical SMILES for (3-chloro-5-methylphenyl)methanamine is Cc1cc(Cl)cc(CN)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)methanamine?
The InChIKey is YIUQWUGXTNVAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,5,10H2,1H3.
What are the key properties of (3-chloro-5-methylphenyl)methanamine?
(3-chloro-5-methylphenyl)methanamine has a molecular weight of 155.63 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)methanamine is sourced from PubChem (CID 51000146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).