4-methoxy-N-(3-methylhex-1-en-2-yl)aniline

C14H21NO — CID 139376345

IUPAC4-methoxy-N-(3-methylhex-1-en-2-yl)aniline
SMILESC=C(Nc1ccc(OC)cc1)C(C)CCC
InChIInChI=1S/C14H21NO/c1-5-6-11(2)12(3)15-13-7-9-14(16-4)10-8-13/h7-11,15H,3,5-6H2,1-2,4H3
InChIKeyWCZJGZHJFSJAKW-UHFFFAOYSA-N
MW219.33 g/mol
LogP4.06
Rot. Bonds6

About 4-methoxy-N-(3-methylhex-1-en-2-yl)aniline

4-methoxy-N-(3-methylhex-1-en-2-yl)aniline (PubChem CID 139376345) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-methoxy-N-(3-methylhex-1-en-2-yl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(3-methylhex-1-en-2-yl)aniline
PubChem CID139376345
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-methoxy-N-(3-methylhex-1-en-2-yl)aniline
SMILESC=C(Nc1ccc(OC)cc1)C(C)CCC
InChIInChI=1S/C14H21NO/c1-5-6-11(2)12(3)15-13-7-9-14(16-4)10-8-13/h7-11,15H,3,5-6H2,1-2,4H3
InChIKeyWCZJGZHJFSJAKW-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
(2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide
CID 11777634
(3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine
CID 145175993
N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide
CID 101272728
[2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate
CID 46512060
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
CID 10752233
(2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide
CID 26584930
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopentan-2-yl]-3-(4-methoxyphenyl)urea
CID 42698495
2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469978

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methylhex-1-en-2-yl)aniline?
The IUPAC name of 4-methoxy-N-(3-methylhex-1-en-2-yl)aniline (CID 139376345) is 4-methoxy-N-(3-methylhex-1-en-2-yl)aniline.
What is the SMILES notation for 4-methoxy-N-(3-methylhex-1-en-2-yl)aniline?
The canonical SMILES for 4-methoxy-N-(3-methylhex-1-en-2-yl)aniline is C=C(Nc1ccc(OC)cc1)C(C)CCC.
What is the InChIKey of 4-methoxy-N-(3-methylhex-1-en-2-yl)aniline?
The InChIKey is WCZJGZHJFSJAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-6-11(2)12(3)15-13-7-9-14(16-4)10-8-13/h7-11,15H,3,5-6H2,1-2,4H3.
What are the key properties of 4-methoxy-N-(3-methylhex-1-en-2-yl)aniline?
4-methoxy-N-(3-methylhex-1-en-2-yl)aniline has a molecular weight of 219.33 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methylhex-1-en-2-yl)aniline is sourced from PubChem (CID 139376345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).