3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine

C16H25NO — CID 169474720

IUPAC3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine
SMILESCCCCCCOc1ccc(C=CCNC)cc1
InChIInChI=1S/C16H25NO/c1-3-4-5-6-14-18-16-11-9-15(10-12-16)8-7-13-17-2/h7-12,17H,3-6,13-14H2,1-2H3
InChIKeyFJDDUGAJQWWBKE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.88
Rot. Bonds9

About 3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine

3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine (PubChem CID 169474720) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine
PubChem CID169474720
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine
SMILESCCCCCCOc1ccc(C=CCNC)cc1
InChIInChI=1S/C16H25NO/c1-3-4-5-6-14-18-16-11-9-15(10-12-16)8-7-13-17-2/h7-12,17H,3-6,13-14H2,1-2H3
InChIKeyFJDDUGAJQWWBKE-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hexoxy-4-[(E)-pent-1-enyl]benzene
CID 173201966
N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide
CID 169466608
3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79348223
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
CID 54159128
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-oxido-4-[(E)-2-(4-undecoxyphenyl)ethenyl]pyridin-1-ium
CID 100920114
(E)-2-(methylamino)-5-(4-pentoxyphenyl)pent-4-en-1-ol
CID 142508077
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916
4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
CID 12055704

Frequently Asked Questions

What is the IUPAC name of 3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine (CID 169474720) is 3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine is CCCCCCOc1ccc(C=CCNC)cc1.
What is the InChIKey of 3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine?
The InChIKey is FJDDUGAJQWWBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-4-5-6-14-18-16-11-9-15(10-12-16)8-7-13-17-2/h7-12,17H,3-6,13-14H2,1-2H3.
What are the key properties of 3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine?
3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169474720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).