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

C14H20ClNO — CID 55037355

IUPAC5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline
SMILESCC1CCCCC1OCc1ccc(Cl)cc1N
InChIInChI=1S/C14H20ClNO/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(15)8-13(11)16/h6-8,10,14H,2-5,9,16H2,1H3
InChIKeyIUYVCQWOLRVXIH-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.02
Rot. Bonds3

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

5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline (PubChem CID 55037355) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline
PubChem CID55037355
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline
SMILESCC1CCCCC1OCc1ccc(Cl)cc1N
InChIInChI=1S/C14H20ClNO/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(15)8-13(11)16/h6-8,10,14H,2-5,9,16H2,1H3
InChIKeyIUYVCQWOLRVXIH-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

3-Chloro-2-(methoxymethyl)aniline
CID 23446885
3-Chloro-2-(methoxymethyl)aniline hydrochloride
CID 71756114
4-Chloro-2-(methoxymethyl)aniline hydrochloride
CID 121514128
4-Chloro-2-(methoxymethyl)aniline
CID 21396378
5-Chloro-2-[1-[1-(2,6-diamino-4-chlorophenyl)-2,2-difluoroethoxy]-2,2-difluoroethyl]benzene-1,3-diamine
CID 88604991
5-Chloro-2-(dipropoxymethyl)-4-fluoroaniline
CID 139703629
5-Chloro-2-(diethoxymethyl)-4-fluoroaniline
CID 139703631
5-Chloro-2-(dibutoxymethyl)-4-fluoroaniline
CID 139703632
5-Chloro-2-(dimethoxymethyl)-4-fluoroaniline
CID 139703642
4-Chloro-1-(1-ethoxyethenyl)-2-nitrobenzene
CID 164665631
2-[(2-Ethylcyclohexyl)oxymethyl]-4-fluoroaniline
CID 43382240
2-[(2-Chlorophenyl)methoxymethyl]-4-fluoroaniline
CID 43382241

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline?
The IUPAC name of 5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline (CID 55037355) is 5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline.
What is the SMILES notation for 5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline?
The canonical SMILES for 5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline is CC1CCCCC1OCc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline?
The InChIKey is IUYVCQWOLRVXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(15)8-13(11)16/h6-8,10,14H,2-5,9,16H2,1H3.
What are the key properties of 5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline?
5-chloro-2-[(2-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 5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline is sourced from PubChem (CID 55037355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).