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

C17H19NO — CID 171230786

IUPAC(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
SMILESN[C@H](c1ccc(OCc2ccccc2)cc1)C1CC1
InChIInChI=1S/C17H19NO/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/t17-/m0/s1
InChIKeyQRYSJDXPTAHXFB-KRWDZBQOSA-N
MW253.34 g/mol
LogP3.68
Rot. Bonds5

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

(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine (PubChem CID 171230786) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
PubChem CID171230786
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
SMILESN[C@H](c1ccc(OCc2ccccc2)cc1)C1CC1
InChIInChI=1S/C17H19NO/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/t17-/m0/s1
InChIKeyQRYSJDXPTAHXFB-KRWDZBQOSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230787
(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
2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 83973210
(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230032
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine
CID 56614966
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171211164

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine?
The IUPAC name of (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine (CID 171230786) is (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine.
What is the SMILES notation for (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine?
The canonical SMILES for (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine is N[C@H](c1ccc(OCc2ccccc2)cc1)C1CC1.
What is the InChIKey of (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine?
The InChIKey is QRYSJDXPTAHXFB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO/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/t17-/m0/s1.
What are the key properties of (S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine?
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.68, 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 is sourced from PubChem (CID 171230786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).