2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol

C14H24N2OS — CID 83935836

IUPAC2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol
SMILESCCSc1ccc(C(O)C(N)CCN(C)C)cc1
InChIInChI=1S/C14H24N2OS/c1-4-18-12-7-5-11(6-8-12)14(17)13(15)9-10-16(2)3/h5-8,13-14,17H,4,9-10,15H2,1-3H3
InChIKeyITYYSUVOUJMYLA-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.11
Rot. Bonds7

About 2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol

2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol (PubChem CID 83935836) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol
PubChem CID83935836
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol
SMILESCCSc1ccc(C(O)C(N)CCN(C)C)cc1
InChIInChI=1S/C14H24N2OS/c1-4-18-12-7-5-11(6-8-12)14(17)13(15)9-10-16(2)3/h5-8,13-14,17H,4,9-10,15H2,1-3H3
InChIKeyITYYSUVOUJMYLA-UHFFFAOYSA-N
XLogP2.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112518298
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol
CID 83930273
1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine
CID 116909120
2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol
CID 83929772
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 112514141
2,3-diamino-3-(4-ethylsulfanylphenyl)propan-1-ol
CID 116942412
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
2-amino-4-(dimethylamino)-1-(3-methylsulfonylphenyl)butan-1-ol
CID 83926432
2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol
CID 83920924
2-[(4-ethylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine
CID 3028321

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol?
The IUPAC name of 2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol (CID 83935836) is 2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol?
The canonical SMILES for 2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol is CCSc1ccc(C(O)C(N)CCN(C)C)cc1.
What is the InChIKey of 2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol?
The InChIKey is ITYYSUVOUJMYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-18-12-7-5-11(6-8-12)14(17)13(15)9-10-16(2)3/h5-8,13-14,17H,4,9-10,15H2,1-3H3.
What are the key properties of 2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol?
2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol has a molecular weight of 268.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol is sourced from PubChem (CID 83935836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).