(5-chloro-2-methylphenyl)methanamine

C8H10ClN — CID 2757673

IUPAC(5-chloro-2-methylphenyl)methanamine
SMILESCc1ccc(Cl)cc1CN
InChIInChI=1S/C8H10ClN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,5,10H2,1H3
InChIKeyWXDWGQCDPGFBEN-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.11
Rot. Bonds1

About (5-chloro-2-methylphenyl)methanamine

(5-chloro-2-methylphenyl)methanamine (PubChem CID 2757673) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)methanamine
PubChem CID2757673
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name(5-chloro-2-methylphenyl)methanamine
SMILESCc1ccc(Cl)cc1CN
InChIInChI=1S/C8H10ClN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,5,10H2,1H3
InChIKeyWXDWGQCDPGFBEN-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 (5-chloro-2-methylphenyl)methanamine?
The IUPAC name of (5-chloro-2-methylphenyl)methanamine (CID 2757673) is (5-chloro-2-methylphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-methylphenyl)methanamine?
The canonical SMILES for (5-chloro-2-methylphenyl)methanamine is Cc1ccc(Cl)cc1CN.
What is the InChIKey of (5-chloro-2-methylphenyl)methanamine?
The InChIKey is WXDWGQCDPGFBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,5,10H2,1H3.
What are the key properties of (5-chloro-2-methylphenyl)methanamine?
(5-chloro-2-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 (5-chloro-2-methylphenyl)methanamine is sourced from PubChem (CID 2757673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).