N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine

C15H25NOS — CID 78993247

IUPACN-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine
SMILESCCC(C)N(CCOC)CCSc1ccccc1
InChIInChI=1S/C15H25NOS/c1-4-14(2)16(10-12-17-3)11-13-18-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3
InChIKeyDFOANHFCZQFTDV-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.53
Rot. Bonds9

About N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine

N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine (PubChem CID 78993247) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine
PubChem CID78993247
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine
SMILESCCC(C)N(CCOC)CCSc1ccccc1
InChIInChI=1S/C15H25NOS/c1-4-14(2)16(10-12-17-3)11-13-18-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3
InChIKeyDFOANHFCZQFTDV-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(2-phenylsulfanylethyl)amino]butanoic acid
CID 79228922
3-chloro-N-(2-phenylsulfanylethyl)-N-propan-2-ylpropan-1-amine
CID 79229117
N-ethyl-2-methyl-N-(2-phenylsulfanylethyl)butan-1-amine
CID 79481980
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
CID 15785710
N-[diethylamino(methoxy)phosphoryl]-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
CID 15785709
3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
CID 62630165
3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193802
1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol
CID 115281985
(3R)-1-N,1-N-bis(2-methoxyethyl)-4-phenylsulfanylbutane-1,3-diamine
CID 141202422
N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
CID 15762909
N'-butan-2-yl-N'-(2-methoxyethyl)-N-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62624514

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine (CID 78993247) is N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine is CCC(C)N(CCOC)CCSc1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine?
The InChIKey is DFOANHFCZQFTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-14(2)16(10-12-17-3)11-13-18-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine?
N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine is sourced from PubChem (CID 78993247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).