5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline

C18H29NO2 — CID 106871662

IUPAC5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline
SMILESCOc1ccc(C(C)(C)C)cc1NC1CCCC(OC)C1
InChIInChI=1S/C18H29NO2/c1-18(2,3)13-9-10-17(21-5)16(11-13)19-14-7-6-8-15(12-14)20-4/h9-11,14-15,19H,6-8,12H2,1-5H3
InChIKeyMOYIMYRNDOTXBY-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.36
Rot. Bonds4

About 5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline

5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline (PubChem CID 106871662) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline
PubChem CID106871662
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline
SMILESCOc1ccc(C(C)(C)C)cc1NC1CCCC(OC)C1
InChIInChI=1S/C18H29NO2/c1-18(2,3)13-9-10-17(21-5)16(11-13)19-14-7-6-8-15(12-14)20-4/h9-11,14-15,19H,6-8,12H2,1-5H3
InChIKeyMOYIMYRNDOTXBY-UHFFFAOYSA-N
XLogP4.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline
CID 103826250
N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 115206704
4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline
CID 79769252
5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870518
2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine
CID 106871796
N-cyclohexyl-5-fluoro-2-methoxyaniline
CID 82539597
N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
CID 106871886
3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106871888
3-bromo-N-(3-methoxycyclohexyl)-4-(trifluoromethoxy)aniline
CID 107335818
2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline
CID 2847498
3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline
CID 106871703
5-[(3-methoxycyclohexyl)amino]naphthalen-1-ol
CID 106871902

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline?
The IUPAC name of 5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline (CID 106871662) is 5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline.
What is the SMILES notation for 5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline?
The canonical SMILES for 5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline is COc1ccc(C(C)(C)C)cc1NC1CCCC(OC)C1.
What is the InChIKey of 5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline?
The InChIKey is MOYIMYRNDOTXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,3)13-9-10-17(21-5)16(11-13)19-14-7-6-8-15(12-14)20-4/h9-11,14-15,19H,6-8,12H2,1-5H3.
What are the key properties of 5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline?
5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline has a molecular weight of 291.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline is sourced from PubChem (CID 106871662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).