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

C17H20ClNO — CID 171230787

IUPAC(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(OCc2ccccc2)cc1)C1CC1
InChIInChI=1S/C17H19NO.ClH/c18-17(14-6-7-14)15-8-10-16(11-9-15)19-12-13-4-2-1-3-5-13;/h1-5,8-11,14,17H,6-7,12,18H2;1H/t17-;/m0./s1
InChIKeyZAUZWQLXLRZKIL-LMOVPXPDSA-N
MW289.81 g/mol
LogP4.10
Rot. Bonds5

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

(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride (PubChem CID 171230787) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
PubChem CID171230787
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(OCc2ccccc2)cc1)C1CC1
InChIInChI=1S/C17H19NO.ClH/c18-17(14-6-7-14)15-8-10-16(11-9-15)19-12-13-4-2-1-3-5-13;/h1-5,8-11,14,17H,6-7,12,18H2;1H/t17-;/m0./s1
InChIKeyZAUZWQLXLRZKIL-LMOVPXPDSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171230786
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
(R)-(4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314574
(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171230778
(R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine
CID 165351367
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 4210839
(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230032
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 83973210
(S)-cyclobutyl-(3,5-dimethyl-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171234044
2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214482
2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine
CID 56614966

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride (CID 171230787) is (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride is Cl.N[C@H](c1ccc(OCc2ccccc2)cc1)C1CC1.
What is the InChIKey of (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride?
The InChIKey is ZAUZWQLXLRZKIL-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c18-17(14-6-7-14)15-8-10-16(11-9-15)19-12-13-4-2-1-3-5-13;/h1-5,8-11,14,17H,6-7,12,18H2;1H/t17-;/m0./s1.
What are the key properties of (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride?
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171230787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).