(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine

C17H19NO — CID 171200529

IUPAC(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
SMILESN[C@H](CC1CC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO/c18-17(11-13-9-10-13)14-5-4-8-16(12-14)19-15-6-2-1-3-7-15/h1-8,12-13,17H,9-11,18H2/t17-/m1/s1
InChIKeyKTKJZDBBQQGEER-QGZVFWFLSA-N
MW253.35 g/mol
LogP4.28
Rot. Bonds5

About (1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine

(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine (PubChem CID 171200529) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
PubChem CID171200529
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
SMILESN[C@H](CC1CC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO/c18-17(11-13-9-10-13)14-5-4-8-16(12-14)19-15-6-2-1-3-7-15/h1-8,12-13,17H,9-11,18H2/t17-/m1/s1
InChIKeyKTKJZDBBQQGEER-QGZVFWFLSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220070
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
(1R)-2-cyclopropyl-1-(3-phenylmethoxyphenyl)ethanamine
CID 171211270
2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
CID 45253768
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
3-(1-amino-2-cyclopropylethyl)benzenethiol
CID 55297793
(1S)-3-methyl-1-(3-phenoxyphenyl)butan-1-amine;hydrochloride
CID 171220068
(3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile
CID 171260327
3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
CID 112693450

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine?
The IUPAC name of (1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine (CID 171200529) is (1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine?
The canonical SMILES for (1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine is N[C@H](CC1CC1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine?
The InChIKey is KTKJZDBBQQGEER-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19NO/c18-17(11-13-9-10-13)14-5-4-8-16(12-14)19-15-6-2-1-3-7-15/h1-8,12-13,17H,9-11,18H2/t17-/m1/s1.
What are the key properties of (1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine?
(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine has a molecular weight of 253.35 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine is sourced from PubChem (CID 171200529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).