4-chloro-2-(methylaminomethyl)aniline

C8H11ClN2 — CID 21064005

IUPAC4-chloro-2-(methylaminomethyl)aniline
SMILESCNCc1cc(Cl)ccc1N
InChIInChI=1S/C8H11ClN2/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,11H,5,10H2,1H3
InChIKeyROHOPJILCIIOET-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.64
Rot. Bonds2

About 4-chloro-2-(methylaminomethyl)aniline

4-chloro-2-(methylaminomethyl)aniline (PubChem CID 21064005) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-chloro-2-(methylaminomethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(methylaminomethyl)aniline
PubChem CID21064005
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-chloro-2-(methylaminomethyl)aniline
SMILESCNCc1cc(Cl)ccc1N
InChIInChI=1S/C8H11ClN2/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,11H,5,10H2,1H3
InChIKeyROHOPJILCIIOET-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-propylaniline
CID 23348961
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
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2-[(benzylamino)methyl]-4-chloroaniline
CID 154201648
1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine
CID 82553451
4-chloro-2-[(2-methylphenyl)methyl]aniline
CID 105490375
1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine
CID 66160497
ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate
CID 121221786
1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182
1-(2-tert-butylsulfanyl-5-chlorophenyl)-N-methylmethanamine
CID 114863850
4-chloro-2-[(3-chlorophenyl)methyl]aniline
CID 21497394
4-chloro-2-[(2S)-2-(methylamino)-2-phenylethyl]aniline
CID 96589066
1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine
CID 79601651

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methylaminomethyl)aniline?
The IUPAC name of 4-chloro-2-(methylaminomethyl)aniline (CID 21064005) is 4-chloro-2-(methylaminomethyl)aniline.
What is the SMILES notation for 4-chloro-2-(methylaminomethyl)aniline?
The canonical SMILES for 4-chloro-2-(methylaminomethyl)aniline is CNCc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(methylaminomethyl)aniline?
The InChIKey is ROHOPJILCIIOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,11H,5,10H2,1H3.
What are the key properties of 4-chloro-2-(methylaminomethyl)aniline?
4-chloro-2-(methylaminomethyl)aniline has a molecular weight of 170.64 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methylaminomethyl)aniline is sourced from PubChem (CID 21064005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).