ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine

C21H39NO — CID 142113853

IUPACethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine
SMILESCC.CCCO[C@@](CC)(c1cccc(C)c1)C(CC)CN(C)C
InChIInChI=1S/C19H33NO.C2H6/c1-7-13-21-19(9-3,17(8-2)15-20(5)6)18-12-10-11-16(4)14-18;1-2/h10-12,14,17H,7-9,13,15H2,1-6H3;1-2H3/t17?,19-;/m1./s1
InChIKeyUNMQLVKLQKONGD-PZBUXUTESA-N
MW321.55 g/mol
LogP5.64
Rot. Bonds9

About ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine

ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine (PubChem CID 142113853) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine.

Molecular Properties

Compound Nameethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine
PubChem CID142113853
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Nameethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine
SMILESCC.CCCO[C@@](CC)(c1cccc(C)c1)C(CC)CN(C)C
InChIInChI=1S/C19H33NO.C2H6/c1-7-13-21-19(9-3,17(8-2)15-20(5)6)18-12-10-11-16(4)14-18;1-2/h10-12,14,17H,7-9,13,15H2,1-6H3;1-2H3/t17?,19-;/m1./s1
InChIKeyUNMQLVKLQKONGD-PZBUXUTESA-N
XLogP5.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2-ethyl-3-methoxy-3-(3-methoxyphenyl)-N,N-dimethylpentan-1-amine
CID 142251053
2-(dimethylamino)-2-ethoxy-2-(3-methylphenyl)acetonitrile
CID 12794340
1-[3,5-diethyl-4,4-difluoro-5-(3-methylphenyl)heptan-3-yl]-3-methylbenzene
CID 137435813
1-[1-bromo-2-(bromomethyl)-4-methylhexan-2-yl]-3-methylbenzene
CID 79455740
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
1-[1-chloro-2-(chloromethyl)butan-2-yl]-3-methylbenzene
CID 79453481
ethane;propane;1,3-xylene
CID 144528046
4-(3-methylbutoxy)-2-(3-methylphenyl)butan-2-amine
CID 55096441
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
1-[1-bromo-2-(bromomethyl)hexan-2-yl]-3-methylbenzene
CID 79456306
ethane;pentane;1,3-xylene
CID 142052962
2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 55096001

Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine?
The IUPAC name of ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine (CID 142113853) is ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine.
What is the SMILES notation for ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine?
The canonical SMILES for ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine is CC.CCCO[C@@](CC)(c1cccc(C)c1)C(CC)CN(C)C.
What is the InChIKey of ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine?
The InChIKey is UNMQLVKLQKONGD-PZBUXUTESA-N. The full InChI is InChI=1S/C19H33NO.C2H6/c1-7-13-21-19(9-3,17(8-2)15-20(5)6)18-12-10-11-16(4)14-18;1-2/h10-12,14,17H,7-9,13,15H2,1-6H3;1-2H3/t17?,19-;/m1./s1.
What are the key properties of ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine?
ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine has a molecular weight of 321.55 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-2-ethyl-N,N-dimethyl-3-(3-methylphenyl)-3-propoxypentan-1-amine is sourced from PubChem (CID 142113853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).