(S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine

C18H21NO — CID 171233917

IUPAC(S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine
SMILESN[C@H](c1ccccc1OCc1ccccc1)C1CCC1
InChIInChI=1S/C18H21NO/c19-18(15-9-6-10-15)16-11-4-5-12-17(16)20-13-14-7-2-1-3-8-14/h1-5,7-8,11-12,15,18H,6,9-10,13,19H2/t18-/m0/s1
InChIKeyZYNAGRLEHVWUEO-SFHVURJKSA-N
MW267.37 g/mol
LogP4.07
Rot. Bonds5

About (S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine

(S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine (PubChem CID 171233917) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine
PubChem CID171233917
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine
SMILESN[C@H](c1ccccc1OCc1ccccc1)C1CCC1
InChIInChI=1S/C18H21NO/c19-18(15-9-6-10-15)16-11-4-5-12-17(16)20-13-14-7-2-1-3-8-14/h1-5,7-8,11-12,15,18H,6,9-10,13,19H2/t18-/m0/s1
InChIKeyZYNAGRLEHVWUEO-SFHVURJKSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclopentyl-(2-phenylmethoxyphenyl)methanamine
CID 171233921
(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171233983
(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
CID 171251122
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
(S)-cyclobutyl-(3,5-dimethyl-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171234044
(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 171234171
2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214482
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171213011
(1R,2S)-2-amino-1-cyclobutyl-2-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanol
CID 171271013

Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine?
The IUPAC name of (S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine (CID 171233917) is (S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine.
What is the SMILES notation for (S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine?
The canonical SMILES for (S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine is N[C@H](c1ccccc1OCc1ccccc1)C1CCC1.
What is the InChIKey of (S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine?
The InChIKey is ZYNAGRLEHVWUEO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NO/c19-18(15-9-6-10-15)16-11-4-5-12-17(16)20-13-14-7-2-1-3-8-14/h1-5,7-8,11-12,15,18H,6,9-10,13,19H2/t18-/m0/s1.
What are the key properties of (S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine?
(S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine has a molecular weight of 267.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine is sourced from PubChem (CID 171233917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).