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

C19H23NO — CID 63010555

IUPAC1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
SMILESC=CCOc1ccc(CNC(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-3-13-21-19-11-9-18(10-12-19)15-20-16(2)14-17-7-5-4-6-8-17/h3-12,16,20H,1,13-15H2,2H3
InChIKeyLCQINULKGXGILM-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.97
Rot. Bonds8

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

1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine (PubChem CID 63010555) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
PubChem CID63010555
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
SMILESC=CCOc1ccc(CNC(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-3-13-21-19-11-9-18(10-12-19)15-20-16(2)14-17-7-5-4-6-8-17/h3-12,16,20H,1,13-15H2,2H3
InChIKeyLCQINULKGXGILM-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.97
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

(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 51526999
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
2-[4-[(1-phenylpropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 63011584
(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28556156
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 17156015
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61223960
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435056
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182769
(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 81402794
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine
CID 115523981

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine (CID 63010555) is 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine is C=CCOc1ccc(CNC(C)Cc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine?
The InChIKey is LCQINULKGXGILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-13-21-19-11-9-18(10-12-19)15-20-16(2)14-17-7-5-4-6-8-17/h3-12,16,20H,1,13-15H2,2H3.
What are the key properties of 1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine?
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.97, 8 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]propan-2-amine is sourced from PubChem (CID 63010555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).