azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine

C17H24N2O2 — CID 69422231

IUPACazane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine
SMILESCOc1ccc([C@H](N)CCOCc2ccccc2)cc1.N
InChIInChI=1S/C17H21NO2.H3N/c1-19-16-9-7-15(8-10-16)17(18)11-12-20-13-14-5-3-2-4-6-14;/h2-10,17H,11-13,18H2,1H3;1H3/t17-;/m1./s1
InChIKeyFSTPPSAUUIWZBR-UNTBIKODSA-N
MW288.39 g/mol
LogP3.46
Rot. Bonds7

About azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine

azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine (PubChem CID 69422231) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Nameazane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine
PubChem CID69422231
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameazane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine
SMILESCOc1ccc([C@H](N)CCOCc2ccccc2)cc1.N
InChIInChI=1S/C17H21NO2.H3N/c1-19-16-9-7-15(8-10-16)17(18)11-12-20-13-14-5-3-2-4-6-14;/h2-10,17H,11-13,18H2,1H3;1H3/t17-;/m1./s1
InChIKeyFSTPPSAUUIWZBR-UNTBIKODSA-N
XLogP3.46
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3,4-dimethoxyphenyl)-4-phenylmethoxybutan-1-amine
CID 58945877
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
CID 20758158
3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805
(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine
CID 102939494
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
3-[(2-methoxyphenyl)methoxy]-1-phenylpropan-1-amine
CID 57274569
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
4-ethoxy-1-(4-methoxyphenyl)butan-1-amine
CID 105095438
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(1R,2S,3R)-1-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-1-phenylpentane-2,3-diol
CID 54598131
1-fluoro-4-phenylmethoxybutan-2-amine
CID 172858311

Frequently Asked Questions

What is the IUPAC name of azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine?
The IUPAC name of azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine (CID 69422231) is azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine.
What is the SMILES notation for azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine?
The canonical SMILES for azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine is COc1ccc([C@H](N)CCOCc2ccccc2)cc1.N.
What is the InChIKey of azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine?
The InChIKey is FSTPPSAUUIWZBR-UNTBIKODSA-N. The full InChI is InChI=1S/C17H21NO2.H3N/c1-19-16-9-7-15(8-10-16)17(18)11-12-20-13-14-5-3-2-4-6-14;/h2-10,17H,11-13,18H2,1H3;1H3/t17-;/m1./s1.
What are the key properties of azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine?
azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine is sourced from PubChem (CID 69422231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).