(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine

C17H19NO2 — CID 171232603

IUPAC(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-3-15(18)14-9-10-16(19-2)17(11-14)20-12-13-7-5-4-6-8-13/h3-11,15H,1,12,18H2,2H3/t15-/m0/s1
InChIKeyYVNPHJQQZKIIJB-HNNXBMFYSA-N
MW269.34 g/mol
LogP3.46
Rot. Bonds6

About (1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine

(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine (PubChem CID 171232603) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
PubChem CID171232603
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-3-15(18)14-9-10-16(19-2)17(11-14)20-12-13-7-5-4-6-8-13/h3-11,15H,1,12,18H2,2H3/t15-/m0/s1
InChIKeyYVNPHJQQZKIIJB-HNNXBMFYSA-N
XLogP3.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171230009
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 66512512
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171232632
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171212979
(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171211164
1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282129
(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171213015

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine (CID 171232603) is (1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine is C=C[C@H](N)c1ccc(OC)c(OCc2ccccc2)c1.
What is the InChIKey of (1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine?
The InChIKey is YVNPHJQQZKIIJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-15(18)14-9-10-16(19-2)17(11-14)20-12-13-7-5-4-6-8-13/h3-11,15H,1,12,18H2,2H3/t15-/m0/s1.
What are the key properties of (1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine?
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine has a molecular weight of 269.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 171232603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).