2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline

C14H20ClNO — CID 55193326

IUPAC2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline
SMILESCOc1ccc(Cl)c(NC2CCCC(C)C2)c1
InChIInChI=1S/C14H20ClNO/c1-10-4-3-5-11(8-10)16-14-9-12(17-2)6-7-13(14)15/h6-7,9-11,16H,3-5,8H2,1-2H3
InChIKeyFPCZYLJNJXQMTQ-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.34
Rot. Bonds3

About 2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline

2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline (PubChem CID 55193326) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline
PubChem CID55193326
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline
SMILESCOc1ccc(Cl)c(NC2CCCC(C)C2)c1
InChIInChI=1S/C14H20ClNO/c1-10-4-3-5-11(8-10)16-14-9-12(17-2)6-7-13(14)15/h6-7,9-11,16H,3-5,8H2,1-2H3
InChIKeyFPCZYLJNJXQMTQ-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
CID 107527568
4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline
CID 43096450
N-(2-chloro-5-methoxyphenyl)thian-3-amine
CID 62871830
N-(2-chloro-5-methoxyphenyl)oxetan-3-amine
CID 63622923
4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide
CID 43738737
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine
CID 82727565
2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline
CID 43697984
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567
4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43716735
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline (CID 55193326) is 2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline is COc1ccc(Cl)c(NC2CCCC(C)C2)c1.
What is the InChIKey of 2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline?
The InChIKey is FPCZYLJNJXQMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-4-3-5-11(8-10)16-14-9-12(17-2)6-7-13(14)15/h6-7,9-11,16H,3-5,8H2,1-2H3.
What are the key properties of 2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline?
2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline has a molecular weight of 253.77 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 55193326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).