1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine

C20H25NO — CID 17156015

IUPAC1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
SMILESC=CCOc1ccc(CNC(CCC)c2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-3-8-20(18-9-6-5-7-10-18)21-16-17-11-13-19(14-12-17)22-15-4-2/h4-7,9-14,20-21H,2-3,8,15-16H2,1H3
InChIKeyDGELDYVCRSDYLK-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.88
Rot. Bonds9

About 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine

1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine (PubChem CID 17156015) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
PubChem CID17156015
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
SMILESC=CCOc1ccc(CNC(CCC)c2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-3-8-20(18-9-6-5-7-10-18)21-16-17-11-13-19(14-12-17)22-15-4-2/h4-7,9-14,20-21H,2-3,8,15-16H2,1H3
InChIKeyDGELDYVCRSDYLK-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156010
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156385
(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 51526999
N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17155994
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099
2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
CID 17155648
(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28556156
1-(3-bromophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 43426685
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine?
The IUPAC name of 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine (CID 17156015) is 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine is C=CCOc1ccc(CNC(CCC)c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine?
The InChIKey is DGELDYVCRSDYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-8-20(18-9-6-5-7-10-18)21-16-17-11-13-19(14-12-17)22-15-4-2/h4-7,9-14,20-21H,2-3,8,15-16H2,1H3.
What are the key properties of 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine?
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 17156015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).