(2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine

C17H29NO2 — CID 142251053

IUPAC(2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine
SMILESCC[C@H](CN(C)C)[C@](CC)(OC)c1cccc(OC)c1
InChIInChI=1S/C17H29NO2/c1-7-14(13-18(3)4)17(8-2,20-6)15-10-9-11-16(12-15)19-5/h9-12,14H,7-8,13H2,1-6H3/t14-,17+/m1/s1
InChIKeyQTYVZQOLPLUQTA-PBHICJAKSA-N
MW279.42 g/mol
LogP3.53
Rot. Bonds8

About (2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine

(2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine (PubChem CID 142251053) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine
PubChem CID142251053
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name(2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine
SMILESCC[C@H](CN(C)C)[C@](CC)(OC)c1cccc(OC)c1
InChIInChI=1S/C17H29NO2/c1-7-14(13-18(3)4)17(8-2,20-6)15-10-9-11-16(12-15)19-5/h9-12,14H,7-8,13H2,1-6H3/t14-,17+/m1/s1
InChIKeyQTYVZQOLPLUQTA-PBHICJAKSA-N
XLogP3.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine
CID 142113853
(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;hydrochloride
CID 67043376
4-[(2R,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-yl]oxy-2,3-dihydroxy-4-oxobutanoic acid
CID 91443203
(2S,3S)-3-benzyl-4-(dimethylamino)-1,1,1-trifluoro-2-(3-methoxyphenyl)butan-2-ol
CID 70010842
2,3-dihydroxybutanedioic acid;(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
CID 86624368
(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;[(2S,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-yl] N-phenylcarbamate
CID 159218124
5-(dimethylamino)-2-ethyl-2-(3-methoxyphenyl)pentanenitrile
CID 154344406
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
CID 78358059
(2S,3S)-2-benzyl-1-(dimethylamino)-3-(3-methoxyphenyl)hex-5-en-3-ol
CID 70010916
(2S,3S)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine;hydrochloride
CID 69414661
2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine
CID 163960110

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine?
The IUPAC name of (2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine (CID 142251053) is (2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine.
What is the SMILES notation for (2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine?
The canonical SMILES for (2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine is CC[C@H](CN(C)C)[C@](CC)(OC)c1cccc(OC)c1.
What is the InChIKey of (2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine?
The InChIKey is QTYVZQOLPLUQTA-PBHICJAKSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-14(13-18(3)4)17(8-2,20-6)15-10-9-11-16(12-15)19-5/h9-12,14H,7-8,13H2,1-6H3/t14-,17+/m1/s1.
What are the key properties of (2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine?
(2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 142251053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).