4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline

C17H26FNO — CID 107428829

IUPAC4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
SMILESCOc1cc(NC2CCCC(CC(C)C)C2)ccc1F
InChIInChI=1S/C17H26FNO/c1-12(2)9-13-5-4-6-14(10-13)19-15-7-8-16(18)17(11-15)20-3/h7-8,11-14,19H,4-6,9-10H2,1-3H3
InChIKeyJNDBVOASBFMTDD-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.85
Rot. Bonds5

About 4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline

4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline (PubChem CID 107428829) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
PubChem CID107428829
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
SMILESCOc1cc(NC2CCCC(CC(C)C)C2)ccc1F
InChIInChI=1S/C17H26FNO/c1-12(2)9-13-5-4-6-14(10-13)19-15-7-8-16(18)17(11-15)20-3/h7-8,11-14,19H,4-6,9-10H2,1-3H3
InChIKeyJNDBVOASBFMTDD-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427851
3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427934
2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol
CID 107700309
4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile
CID 107788377
N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 114838333
4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine
CID 114838536
2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine
CID 107428685
1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one
CID 107428313
2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427839
N-(4-fluoro-3-methoxyphenyl)thian-4-amine
CID 114837670
4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427949
4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide
CID 107427895

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The IUPAC name of 4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline (CID 107428829) is 4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The canonical SMILES for 4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline is COc1cc(NC2CCCC(CC(C)C)C2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The InChIKey is JNDBVOASBFMTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12(2)9-13-5-4-6-14(10-13)19-15-7-8-16(18)17(11-15)20-3/h7-8,11-14,19H,4-6,9-10H2,1-3H3.
What are the key properties of 4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline?
4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline has a molecular weight of 279.40 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline is sourced from PubChem (CID 107428829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).