(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride

C18H22ClNO — CID 171230778

IUPAC(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride
SMILESCl.N[C@@H](CC1CC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H21NO.ClH/c19-18(12-14-6-7-14)16-8-10-17(11-9-16)20-13-15-4-2-1-3-5-15;/h1-5,8-11,14,18H,6-7,12-13,19H2;1H/t18-;/m0./s1
InChIKeyCZLFSPRBEAQSHQ-FERBBOLQSA-N
MW303.83 g/mol
LogP4.49
Rot. Bonds6

About (1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride

(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride (PubChem CID 171230778) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride
PubChem CID171230778
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride
SMILESCl.N[C@@H](CC1CC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H21NO.ClH/c19-18(12-14-6-7-14)16-8-10-17(11-9-16)20-13-15-4-2-1-3-5-15;/h1-5,8-11,14,18H,6-7,12-13,19H2;1H/t18-;/m0./s1
InChIKeyCZLFSPRBEAQSHQ-FERBBOLQSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-cyclopropyl-1-(3-phenylmethoxyphenyl)ethanamine
CID 171211270
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230787
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171230786
(1S)-3,3-difluoro-1-(4-phenylmethoxyphenyl)propan-1-amine
CID 171313225
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(R)-(4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314574
(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 171208431
1-(4-phenylmethoxyphenyl)but-3-en-1-amine
CID 10944951
(1S)-1-(4-phenylmethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171230797
(1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171211177
(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211160

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride (CID 171230778) is (1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride is Cl.N[C@@H](CC1CC1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is CZLFSPRBEAQSHQ-FERBBOLQSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c19-18(12-14-6-7-14)16-8-10-17(11-9-16)20-13-15-4-2-1-3-5-15;/h1-5,8-11,14,18H,6-7,12-13,19H2;1H/t18-;/m0./s1.
What are the key properties of (1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride?
(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171230778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).