(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride

C19H24ClNO3 — CID 171233983

IUPAC(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc(OCc2ccccc2)c([C@@H](N)C2CC2)cc1OC.Cl
InChIInChI=1S/C19H23NO3.ClH/c1-21-17-10-15(19(20)14-8-9-14)16(11-18(17)22-2)23-12-13-6-4-3-5-7-13;/h3-7,10-11,14,19H,8-9,12,20H2,1-2H3;1H/t19-;/m0./s1
InChIKeyFQHLKMBFYHJWPR-FYZYNONXSA-N
MW349.86 g/mol
LogP4.11
Rot. Bonds7

About (S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride

(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride (PubChem CID 171233983) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is (S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
PubChem CID171233983
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc(OCc2ccccc2)c([C@@H](N)C2CC2)cc1OC.Cl
InChIInChI=1S/C19H23NO3.ClH/c1-21-17-10-15(19(20)14-8-9-14)16(11-18(17)22-2)23-12-13-6-4-3-5-7-13;/h3-7,10-11,14,19H,8-9,12,20H2,1-2H3;1H/t19-;/m0./s1
InChIKeyFQHLKMBFYHJWPR-FYZYNONXSA-N
XLogP4.11
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171233973
(1S,2R)-2-amino-1-cyclopropyl-2-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanol
CID 171265338
(1R,2S)-2-amino-1-cyclobutyl-2-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanol
CID 171271013
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214333
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171251150
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312678
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311965
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171214345
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171214367
(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 171234171
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride (CID 171233983) is (S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride is COc1cc(OCc2ccccc2)c([C@@H](N)C2CC2)cc1OC.Cl.
What is the InChIKey of (S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride?
The InChIKey is FQHLKMBFYHJWPR-FYZYNONXSA-N. The full InChI is InChI=1S/C19H23NO3.ClH/c1-21-17-10-15(19(20)14-8-9-14)16(11-18(17)22-2)23-12-13-6-4-3-5-7-13;/h3-7,10-11,14,19H,8-9,12,20H2,1-2H3;1H/t19-;/m0./s1.
What are the key properties of (S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride?
(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171233983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).