2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline

C14H20ClNO — CID 43169048

IUPAC2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline
SMILESCC1CCC(OCc2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C14H20ClNO/c1-10-2-5-12(6-3-10)17-9-11-4-7-13(15)14(16)8-11/h4,7-8,10,12H,2-3,5-6,9,16H2,1H3
InChIKeyZCMWTHSXFODNQW-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.02
Rot. Bonds3

About 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline

2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline (PubChem CID 43169048) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline
PubChem CID43169048
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline
SMILESCC1CCC(OCc2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C14H20ClNO/c1-10-2-5-12(6-3-10)17-9-11-4-7-13(15)14(16)8-11/h4,7-8,10,12H,2-3,5-6,9,16H2,1H3
InChIKeyZCMWTHSXFODNQW-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 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 ≤ 54.02
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-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 61219359
2-chloro-5-(methoxymethyl)aniline
CID 43349916
1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene
CID 65491519
2-chloro-5-(cyclopropylmethoxymethyl)aniline
CID 43349982
3,6-dichloro-2-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 62885094
4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43443885
4-[(4-methylcyclohexyl)oxymethyl]benzoic acid
CID 43185253
4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
CID 103037922
2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 82696145
4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile
CID 63886173
2,4-dichloro-5-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 116519370
N-methyl-4-[(4-methylcyclohexyl)oxymethyl]-2-nitroaniline
CID 62194630

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline?
The IUPAC name of 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline (CID 43169048) is 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline.
What is the SMILES notation for 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline?
The canonical SMILES for 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline is CC1CCC(OCc2ccc(Cl)c(N)c2)CC1.
What is the InChIKey of 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline?
The InChIKey is ZCMWTHSXFODNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-2-5-12(6-3-10)17-9-11-4-7-13(15)14(16)8-11/h4,7-8,10,12H,2-3,5-6,9,16H2,1H3.
What are the key properties of 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline?
2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline has a molecular weight of 253.77 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline is sourced from PubChem (CID 43169048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).