2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline

C16H23ClN2 — CID 81148855

IUPAC2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline
SMILESCC(C1CC1)N(C)c1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C16H23ClN2/c1-11(13-4-5-13)19(2)16-8-3-12(9-15(16)17)10-18-14-6-7-14/h3,8-9,11,13-14,18H,4-7,10H2,1-2H3
InChIKeyQQGFQLQJYKKZST-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.83
Rot. Bonds6

About 2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline

2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline (PubChem CID 81148855) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline.

Molecular Properties

Compound Name2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline
PubChem CID81148855
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline
SMILESCC(C1CC1)N(C)c1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C16H23ClN2/c1-11(13-4-5-13)19(2)16-8-3-12(9-15(16)17)10-18-14-6-7-14/h3,8-9,11,13-14,18H,4-7,10H2,1-2H3
InChIKeyQQGFQLQJYKKZST-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149552
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 81149641
2-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149052
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol
CID 102633000
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline
CID 63052625
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81147848
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81149095
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide
CID 81143504
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide
CID 81144235
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 81146399
N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62019463
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol
CID 113426115

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline?
The IUPAC name of 2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline (CID 81148855) is 2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline.
What is the SMILES notation for 2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline?
The canonical SMILES for 2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline is CC(C1CC1)N(C)c1ccc(CNC2CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline?
The InChIKey is QQGFQLQJYKKZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-11(13-4-5-13)19(2)16-8-3-12(9-15(16)17)10-18-14-6-7-14/h3,8-9,11,13-14,18H,4-7,10H2,1-2H3.
What are the key properties of 2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline?
2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline has a molecular weight of 278.83 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline is sourced from PubChem (CID 81148855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).