(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine

C16H17NO — CID 171211164

IUPAC(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h2-11,16H,1,12,17H2/t16-/m1/s1
InChIKeyCLYAWYPIJYAXOX-MRXNPFEDSA-N
MW239.32 g/mol
LogP3.45
Rot. Bonds5

About (1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine

(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine (PubChem CID 171211164) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine
PubChem CID171211164
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h2-11,16H,1,12,17H2/t16-/m1/s1
InChIKeyCLYAWYPIJYAXOX-MRXNPFEDSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.45
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

1-(4-phenylmethoxyphenyl)but-3-en-1-amine
CID 10944951
(1S)-1-(4-phenylmethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171230797
2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
CID 171214455
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine
CID 56614966
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171230009
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
(1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171214268
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
(1S)-3,3-difluoro-1-(4-phenylmethoxyphenyl)propan-1-amine
CID 171313225

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine (CID 171211164) is (1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine is C=C[C@@H](N)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine?
The InChIKey is CLYAWYPIJYAXOX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h2-11,16H,1,12,17H2/t16-/m1/s1.
What are the key properties of (1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine?
(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine has a molecular weight of 239.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 171211164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).