3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline

C15H23ClN2 — CID 55241864

IUPAC3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
SMILESCC1CCC(N(C)Cc2c(N)cccc2Cl)CC1
InChIInChI=1S/C15H23ClN2/c1-11-6-8-12(9-7-11)18(2)10-13-14(16)4-3-5-15(13)17/h3-5,11-12H,6-10,17H2,1-2H3
InChIKeyBWLKUVHEGKHLHL-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.93
Rot. Bonds3

About 3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline

3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline (PubChem CID 55241864) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
PubChem CID55241864
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
SMILESCC1CCC(N(C)Cc2c(N)cccc2Cl)CC1
InChIInChI=1S/C15H23ClN2/c1-11-6-8-12(9-7-11)18(2)10-13-14(16)4-3-5-15(13)17/h3-5,11-12H,6-10,17H2,1-2H3
InChIKeyBWLKUVHEGKHLHL-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.93
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

2-methyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 61439450
2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 61437395
3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline
CID 55242058
2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63817071
4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55135728
3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977771
3-chloro-2-[(3,5-dimethylcyclohexyl)oxymethyl]aniline
CID 64731369
2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 55241095
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79118637
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one
CID 79119937
N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004344

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline?
The IUPAC name of 3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline (CID 55241864) is 3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline.
What is the SMILES notation for 3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline?
The canonical SMILES for 3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline is CC1CCC(N(C)Cc2c(N)cccc2Cl)CC1.
What is the InChIKey of 3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline?
The InChIKey is BWLKUVHEGKHLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-6-8-12(9-7-11)18(2)10-13-14(16)4-3-5-15(13)17/h3-5,11-12H,6-10,17H2,1-2H3.
What are the key properties of 3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline?
3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline has a molecular weight of 266.82 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline is sourced from PubChem (CID 55241864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).