N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline

C17H26ClNO — CID 43095755

IUPACN-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NC1CCCCC1C(C)(C)C
InChIInChI=1S/C17H26ClNO/c1-17(2,3)13-7-5-6-8-14(13)19-15-11-12(18)9-10-16(15)20-4/h9-11,13-14,19H,5-8H2,1-4H3
InChIKeyHFQCSXXGWVHESS-UHFFFAOYSA-N
MW295.85 g/mol
LogP5.37
Rot. Bonds3

About N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline

N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline (PubChem CID 43095755) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline
PubChem CID43095755
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NC1CCCCC1C(C)(C)C
InChIInChI=1S/C17H26ClNO/c1-17(2,3)13-7-5-6-8-14(13)19-15-11-12(18)9-10-16(15)20-4/h9-11,13-14,19H,5-8H2,1-4H3
InChIKeyHFQCSXXGWVHESS-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.85
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline
CID 55199009
5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539259
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758489
5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870518
N-(5-chloro-2-methoxyphenyl)thiolan-3-amine
CID 43193326
N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769068
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 60957296
N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline
CID 43095485
2-bromo-N-(2-tert-butylcyclohexyl)-3-chloroaniline
CID 103478310
4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758056
tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate
CID 103719625

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline?
The IUPAC name of N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline (CID 43095755) is N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline is COc1ccc(Cl)cc1NC1CCCCC1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline?
The InChIKey is HFQCSXXGWVHESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-17(2,3)13-7-5-6-8-14(13)19-15-11-12(18)9-10-16(15)20-4/h9-11,13-14,19H,5-8H2,1-4H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline?
N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline has a molecular weight of 295.85 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline is sourced from PubChem (CID 43095755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).