4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline

C11H15ClN2 — CID 43264518

IUPAC4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
SMILESCN(Cc1cc(N)ccc1Cl)C1CC1
InChIInChI=1S/C11H15ClN2/c1-14(10-3-4-10)7-8-6-9(13)2-5-11(8)12/h2,5-6,10H,3-4,7,13H2,1H3
InChIKeyVAQGVIPKFHDIJK-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.52
Rot. Bonds3

About 4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline

4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline (PubChem CID 43264518) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
PubChem CID43264518
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
SMILESCN(Cc1cc(N)ccc1Cl)C1CC1
InChIInChI=1S/C11H15ClN2/c1-14(10-3-4-10)7-8-6-9(13)2-5-11(8)12/h2,5-6,10H,3-4,7,13H2,1H3
InChIKeyVAQGVIPKFHDIJK-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-chlorophenyl)methyl]-N-methylthiolan-3-amine
CID 43296266
4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43540735
4-chloro-3-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 78973855
3-fluoro-4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768070
4-chloro-3-[(dipropylamino)methyl]aniline
CID 43169077
4-chloro-3-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61430964
N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 64768656
N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 61363949
N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457040
1-[(5-amino-2-chlorophenyl)methyl-methylamino]propan-2-ol
CID 62333630
4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 79583179
N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine
CID 43610736

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline?
The IUPAC name of 4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline (CID 43264518) is 4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline?
The canonical SMILES for 4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline is CN(Cc1cc(N)ccc1Cl)C1CC1.
What is the InChIKey of 4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline?
The InChIKey is VAQGVIPKFHDIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-14(10-3-4-10)7-8-6-9(13)2-5-11(8)12/h2,5-6,10H,3-4,7,13H2,1H3.
What are the key properties of 4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline?
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline has a molecular weight of 210.71 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 43264518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).