3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline

C15H22ClNO — CID 63515430

IUPAC3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline
SMILESClc1cccc(NCCOCC2CCCCC2)c1
InChIInChI=1S/C15H22ClNO/c16-14-7-4-8-15(11-14)17-9-10-18-12-13-5-2-1-3-6-13/h4,7-8,11,13,17H,1-3,5-6,9-10,12H2
InChIKeyKJDINBDLHTXVOK-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.35
Rot. Bonds6

About 3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline

3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline (PubChem CID 63515430) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline
PubChem CID63515430
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline
SMILESClc1cccc(NCCOCC2CCCCC2)c1
InChIInChI=1S/C15H22ClNO/c16-14-7-4-8-15(11-14)17-9-10-18-12-13-5-2-1-3-6-13/h4,7-8,11,13,17H,1-3,5-6,9-10,12H2
InChIKeyKJDINBDLHTXVOK-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexylmethoxy)ethyl]aniline
CID 62582725
N-[2-(cyclopentylmethoxy)ethyl]aniline
CID 66323368
N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline
CID 62584767
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
3-chloro-N-(2-octoxyethyl)aniline
CID 63506591
cyclohexylmethyl N-(3-chlorophenyl)carbamate
CID 27108719
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618387
N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine
CID 62559395
3-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 62597642
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
3-chloro-N-[2-(2,5-dichlorophenoxy)ethyl]aniline
CID 63505403

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline?
The IUPAC name of 3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline (CID 63515430) is 3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline.
What is the SMILES notation for 3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline?
The canonical SMILES for 3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline is Clc1cccc(NCCOCC2CCCCC2)c1.
What is the InChIKey of 3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline?
The InChIKey is KJDINBDLHTXVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-14-7-4-8-15(11-14)17-9-10-18-12-13-5-2-1-3-6-13/h4,7-8,11,13,17H,1-3,5-6,9-10,12H2.
What are the key properties of 3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline?
3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline has a molecular weight of 267.80 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline is sourced from PubChem (CID 63515430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).