(1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride

C16H18ClNO — CID 171214268

IUPAC(1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1ccccc1OCc1ccccc1.Cl
InChIInChI=1S/C16H17NO.ClH/c1-2-15(17)14-10-6-7-11-16(14)18-12-13-8-4-3-5-9-13;/h2-11,15H,1,12,17H2;1H/t15-;/m1./s1
InChIKeyBVVFSUWCQVWDRT-XFULWGLBSA-N
MW275.78 g/mol
LogP3.87
Rot. Bonds5

About (1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride

(1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride (PubChem CID 171214268) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride
PubChem CID171214268
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1ccccc1OCc1ccccc1.Cl
InChIInChI=1S/C16H17NO.ClH/c1-2-15(17)14-10-6-7-11-16(14)18-12-13-8-4-3-5-9-13;/h2-11,15H,1,12,17H2;1H/t15-;/m1./s1
InChIKeyBVVFSUWCQVWDRT-XFULWGLBSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.87
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-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
CID 171251122
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
CID 171214455
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171230009
(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171211164
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603
1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene
CID 123524365
2-(2-phenylmethoxyphenyl)butane-1,3-diamine
CID 57280204
ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171214311
(S)-cyclopentyl-(2-phenylmethoxyphenyl)methanamine
CID 171233921

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride (CID 171214268) is (1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride is C=C[C@@H](N)c1ccccc1OCc1ccccc1.Cl.
What is the InChIKey of (1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is BVVFSUWCQVWDRT-XFULWGLBSA-N. The full InChI is InChI=1S/C16H17NO.ClH/c1-2-15(17)14-10-6-7-11-16(14)18-12-13-8-4-3-5-9-13;/h2-11,15H,1,12,17H2;1H/t15-;/m1./s1.
What are the key properties of (1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride?
(1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171214268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).