(3S)-3-phenoxy-3-phenylpropan-1-amine

C15H17NO — CID 11736303

IUPAC(3S)-3-phenoxy-3-phenylpropan-1-amine
SMILESNCC[C@H](Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO/c16-12-11-15(13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15H,11-12,16H2/t15-/m0/s1
InChIKeyXYWLZHPZECQHMB-HNNXBMFYSA-N
MW227.31 g/mol
LogP3.16
Rot. Bonds5

About (3S)-3-phenoxy-3-phenylpropan-1-amine

(3S)-3-phenoxy-3-phenylpropan-1-amine (PubChem CID 11736303) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (3S)-3-phenoxy-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3S)-3-phenoxy-3-phenylpropan-1-amine
PubChem CID11736303
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(3S)-3-phenoxy-3-phenylpropan-1-amine
SMILESNCC[C@H](Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO/c16-12-11-15(13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15H,11-12,16H2/t15-/m0/s1
InChIKeyXYWLZHPZECQHMB-HNNXBMFYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
CID 10177883
3-(4-ethylphenoxy)-3-phenylpropan-1-amine
CID 112501685
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
[1-phenoxy-3-(3-phenoxy-3-phenylpropoxy)propyl]benzene
CID 70632407
2-phenoxy-2-phenylethanamine chloride
CID 21228850
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
(3-bromo-1-phenoxypropyl)benzene
CID 140974911
O-(3-amino-1-phenylpropyl)hydroxylamine
CID 58171394
5-(4-ethylphenoxy)-5-phenylpentan-1-amine
CID 118528023
3-(2-methoxyphenyl)-3-phenoxypropan-1-amine
CID 112501709
5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine
CID 118528022
1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene
CID 39380952

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenoxy-3-phenylpropan-1-amine?
The IUPAC name of (3S)-3-phenoxy-3-phenylpropan-1-amine (CID 11736303) is (3S)-3-phenoxy-3-phenylpropan-1-amine.
What is the SMILES notation for (3S)-3-phenoxy-3-phenylpropan-1-amine?
The canonical SMILES for (3S)-3-phenoxy-3-phenylpropan-1-amine is NCC[C@H](Oc1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-phenoxy-3-phenylpropan-1-amine?
The InChIKey is XYWLZHPZECQHMB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NO/c16-12-11-15(13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15H,11-12,16H2/t15-/m0/s1.
What are the key properties of (3S)-3-phenoxy-3-phenylpropan-1-amine?
(3S)-3-phenoxy-3-phenylpropan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenoxy-3-phenylpropan-1-amine is sourced from PubChem (CID 11736303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).