(2-chloro-4-methoxyphenyl)methanediamine

C8H11ClN2O — CID 116939187

IUPAC(2-chloro-4-methoxyphenyl)methanediamine
SMILESCOc1ccc(C(N)N)c(Cl)c1
InChIInChI=1S/C8H11ClN2O/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,8H,10-11H2,1H3
InChIKeyQFAXZCGZRWTWKQ-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.26
Rot. Bonds2

About (2-chloro-4-methoxyphenyl)methanediamine

(2-chloro-4-methoxyphenyl)methanediamine (PubChem CID 116939187) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)methanediamine.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)methanediamine
PubChem CID116939187
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name(2-chloro-4-methoxyphenyl)methanediamine
SMILESCOc1ccc(C(N)N)c(Cl)c1
InChIInChI=1S/C8H11ClN2O/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,8H,10-11H2,1H3
InChIKeyQFAXZCGZRWTWKQ-UHFFFAOYSA-N
XLogP1.26
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 43561856
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine
CID 116937731
1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine
CID 43561758
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
(3R)-3-amino-3-(2-chloro-4-methoxyphenyl)propanenitrile
CID 130644013
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine
CID 43561843
2-[amino-(2-chloro-4-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116946359
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 103220223

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)methanediamine?
The IUPAC name of (2-chloro-4-methoxyphenyl)methanediamine (CID 116939187) is (2-chloro-4-methoxyphenyl)methanediamine.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)methanediamine?
The canonical SMILES for (2-chloro-4-methoxyphenyl)methanediamine is COc1ccc(C(N)N)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)methanediamine?
The InChIKey is QFAXZCGZRWTWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,8H,10-11H2,1H3.
What are the key properties of (2-chloro-4-methoxyphenyl)methanediamine?
(2-chloro-4-methoxyphenyl)methanediamine has a molecular weight of 186.64 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxyphenyl)methanediamine is sourced from PubChem (CID 116939187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).