(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride

C19H24ClNO2 — CID 171230032

IUPAC(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCCOc1cc([C@@H](N)C2CC2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-2-21-18-12-16(19(20)15-8-9-15)10-11-17(18)22-13-14-6-4-3-5-7-14;/h3-7,10-12,15,19H,2,8-9,13,20H2,1H3;1H/t19-;/m0./s1
InChIKeyNCKNCVBCSCZTGN-FYZYNONXSA-N
MW333.86 g/mol
LogP4.50
Rot. Bonds7

About (S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride

(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride (PubChem CID 171230032) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is (S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
PubChem CID171230032
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCCOc1cc([C@@H](N)C2CC2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-2-21-18-12-16(19(20)15-8-9-15)10-11-17(18)22-13-14-6-4-3-5-7-14;/h3-7,10-12,15,19H,2,8-9,13,20H2,1H3;1H/t19-;/m0./s1
InChIKeyNCKNCVBCSCZTGN-FYZYNONXSA-N
XLogP4.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314543
(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171213011
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406
(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 171234171
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171230016
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171210418
(1S,2R)-1-amino-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-2-ol;hydrochloride
CID 171269893
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171243156
(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol
CID 66515702
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66512660
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171230019

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride (CID 171230032) is (S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride is CCOc1cc([C@@H](N)C2CC2)ccc1OCc1ccccc1.Cl.
What is the InChIKey of (S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride?
The InChIKey is NCKNCVBCSCZTGN-FYZYNONXSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c1-2-21-18-12-16(19(20)15-8-9-15)10-11-17(18)22-13-14-6-4-3-5-7-14;/h3-7,10-12,15,19H,2,8-9,13,20H2,1H3;1H/t19-;/m0./s1.
What are the key properties of (S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride?
(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171230032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).