1-(4-phenylmethoxyphenyl)but-3-en-1-amine

C17H19NO — CID 10944951

IUPAC1-(4-phenylmethoxyphenyl)but-3-en-1-amine
SMILESC=CCC(N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-6-17(18)15-9-11-16(12-10-15)19-13-14-7-4-3-5-8-14/h2-5,7-12,17H,1,6,13,18H2
InChIKeyVUMHCMQFGMRZLJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.84
Rot. Bonds6

About 1-(4-phenylmethoxyphenyl)but-3-en-1-amine

1-(4-phenylmethoxyphenyl)but-3-en-1-amine (PubChem CID 10944951) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)but-3-en-1-amine
PubChem CID10944951
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(4-phenylmethoxyphenyl)but-3-en-1-amine
SMILESC=CCC(N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-6-17(18)15-9-11-16(12-10-15)19-13-14-7-4-3-5-8-14/h2-5,7-12,17H,1,6,13,18H2
InChIKeyVUMHCMQFGMRZLJ-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.84
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

(1S)-1-(4-phenylmethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171230797
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171211164
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171210412
(1S)-3,3-difluoro-1-(4-phenylmethoxyphenyl)propan-1-amine
CID 171313225
(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171230778
(1S)-3-methyl-1-(4-phenylmethoxyphenyl)but-3-en-1-amine
CID 171230798
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine
CID 171230780
(1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171211177
(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211160
(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine
CID 102939494
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230781

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)but-3-en-1-amine?
The IUPAC name of 1-(4-phenylmethoxyphenyl)but-3-en-1-amine (CID 10944951) is 1-(4-phenylmethoxyphenyl)but-3-en-1-amine.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)but-3-en-1-amine?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)but-3-en-1-amine is C=CCC(N)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)but-3-en-1-amine?
The InChIKey is VUMHCMQFGMRZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-6-17(18)15-9-11-16(12-10-15)19-13-14-7-4-3-5-8-14/h2-5,7-12,17H,1,6,13,18H2.
What are the key properties of 1-(4-phenylmethoxyphenyl)but-3-en-1-amine?
1-(4-phenylmethoxyphenyl)but-3-en-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)but-3-en-1-amine is sourced from PubChem (CID 10944951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).