4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline

C14H20BrNO2 — CID 113414428

IUPAC4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline
SMILESCOc1cc(NC2CCC(OC)CC2)ccc1Br
InChIInChI=1S/C14H20BrNO2/c1-17-12-6-3-10(4-7-12)16-11-5-8-13(15)14(9-11)18-2/h5,8-10,12,16H,3-4,6-7H2,1-2H3
InChIKeyHQSVUEGGYMJXMT-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.83
Rot. Bonds4

About 4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline

4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline (PubChem CID 113414428) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline
PubChem CID113414428
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline
SMILESCOc1cc(NC2CCC(OC)CC2)ccc1Br
InChIInChI=1S/C14H20BrNO2/c1-17-12-6-3-10(4-7-12)16-11-5-8-13(15)14(9-11)18-2/h5,8-10,12,16H,3-4,6-7H2,1-2H3
InChIKeyHQSVUEGGYMJXMT-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methoxyphenyl)cycloheptanamine
CID 82858294
4-bromo-3-methoxy-N-(4-propan-2-ylcyclohexyl)aniline
CID 82858349
N-(4-bromo-3-methoxyphenyl)thian-4-amine
CID 79479282
(3S)-N-(4-bromo-3-methoxyphenyl)thiolan-3-amine
CID 97358692
N-(4-bromo-3-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 82857353
N-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 82857646
3-bromo-N-cyclopentyl-4-methoxyaniline
CID 63999867
2-(4-bromo-3-methoxyanilino)cyclohexan-1-ol
CID 82868019
4-bromo-N-[3-(2-bromophenyl)cyclobutyl]-3-methoxyaniline
CID 82859860
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
N-(4-bromo-3-methoxyphenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 82857409
4-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-3-methoxyaniline
CID 82859728

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline?
The IUPAC name of 4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline (CID 113414428) is 4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline.
What is the SMILES notation for 4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline?
The canonical SMILES for 4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline is COc1cc(NC2CCC(OC)CC2)ccc1Br.
What is the InChIKey of 4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline?
The InChIKey is HQSVUEGGYMJXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-17-12-6-3-10(4-7-12)16-11-5-8-13(15)14(9-11)18-2/h5,8-10,12,16H,3-4,6-7H2,1-2H3.
What are the key properties of 4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline?
4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline has a molecular weight of 314.22 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline is sourced from PubChem (CID 113414428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).