(3-chloro-2-methyl-5-nitrophenyl)methanamine

C8H9ClN2O2 — CID 130778123

IUPAC(3-chloro-2-methyl-5-nitrophenyl)methanamine
SMILESCc1c(Cl)cc([N+](=O)[O-])cc1CN
InChIInChI=1S/C8H9ClN2O2/c1-5-6(4-10)2-7(11(12)13)3-8(5)9/h2-3H,4,10H2,1H3
InChIKeyNBJRZNCQQRZKKS-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.02
Rot. Bonds2

About (3-chloro-2-methyl-5-nitrophenyl)methanamine

(3-chloro-2-methyl-5-nitrophenyl)methanamine (PubChem CID 130778123) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is (3-chloro-2-methyl-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-methyl-5-nitrophenyl)methanamine
PubChem CID130778123
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name(3-chloro-2-methyl-5-nitrophenyl)methanamine
SMILESCc1c(Cl)cc([N+](=O)[O-])cc1CN
InChIInChI=1S/C8H9ClN2O2/c1-5-6(4-10)2-7(11(12)13)3-8(5)9/h2-3H,4,10H2,1H3
InChIKeyNBJRZNCQQRZKKS-UHFFFAOYSA-N
XLogP2.02
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-3-chloro-5-nitrophenyl)methanamine
CID 171013968
(3,5-dichloro-2-methylphenyl)methanamine
CID 121228387
3-(aminomethyl)-2-chloro-5-nitrobenzonitrile
CID 171015341
[2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine
CID 62099310
2,6-dichloro-4-nitroaniline;molecular chlorine
CID 20849384
2-chloro-6-methyl-4-nitrobenzenethiol
CID 119001206
2-(2-chloro-6-methyl-4-nitrophenyl)acetic acid
CID 118994614
1-chloro-2-fluoro-3-methyl-5-nitrobenzene
CID 86042359
(2-bromo-3-iodo-5-nitrophenyl)methanamine
CID 171018681
(3-chloro-2-methyl-4-nitrophenyl)methanamine
CID 130938681
ethyl 2-(2-chloro-6-methyl-4-nitrophenyl)acetate
CID 171028477
sodium 2,6-dichloro-4-nitrophenolate
CID 12589660

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methyl-5-nitrophenyl)methanamine?
The IUPAC name of (3-chloro-2-methyl-5-nitrophenyl)methanamine (CID 130778123) is (3-chloro-2-methyl-5-nitrophenyl)methanamine.
What is the SMILES notation for (3-chloro-2-methyl-5-nitrophenyl)methanamine?
The canonical SMILES for (3-chloro-2-methyl-5-nitrophenyl)methanamine is Cc1c(Cl)cc([N+](=O)[O-])cc1CN.
What is the InChIKey of (3-chloro-2-methyl-5-nitrophenyl)methanamine?
The InChIKey is NBJRZNCQQRZKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5-6(4-10)2-7(11(12)13)3-8(5)9/h2-3H,4,10H2,1H3.
What are the key properties of (3-chloro-2-methyl-5-nitrophenyl)methanamine?
(3-chloro-2-methyl-5-nitrophenyl)methanamine has a molecular weight of 200.62 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methyl-5-nitrophenyl)methanamine is sourced from PubChem (CID 130778123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).