5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine

C14H24N2OS — CID 91033920

IUPAC5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine
SMILESCCOc1ccccc1CC(CC(N)CN)SC
InChIInChI=1S/C14H24N2OS/c1-3-17-14-7-5-4-6-11(14)8-13(18-2)9-12(16)10-15/h4-7,12-13H,3,8-10,15-16H2,1-2H3
InChIKeyPOHOMLAZOZJHOY-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.04
Rot. Bonds8

About 5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine

5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine (PubChem CID 91033920) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine
PubChem CID91033920
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine
SMILESCCOc1ccccc1CC(CC(N)CN)SC
InChIInChI=1S/C14H24N2OS/c1-3-17-14-7-5-4-6-11(14)8-13(18-2)9-12(16)10-15/h4-7,12-13H,3,8-10,15-16H2,1-2H3
InChIKeyPOHOMLAZOZJHOY-UHFFFAOYSA-N
XLogP2.04
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849
2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine
CID 66220330
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
1-ethoxy-2-(methylsulfanylmethyl)benzene
CID 130225008
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine
CID 83975069
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
2-chloro-3-(2-ethoxyphenyl)propanimidamide
CID 141327609
1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine
CID 54939238
2-(2-ethoxyphenyl)-2-fluoroethanamine
CID 112562684
1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene
CID 87976162

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine?
The IUPAC name of 5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine (CID 91033920) is 5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine.
What is the SMILES notation for 5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine?
The canonical SMILES for 5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine is CCOc1ccccc1CC(CC(N)CN)SC.
What is the InChIKey of 5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine?
The InChIKey is POHOMLAZOZJHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-17-14-7-5-4-6-11(14)8-13(18-2)9-12(16)10-15/h4-7,12-13H,3,8-10,15-16H2,1-2H3.
What are the key properties of 5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine?
5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine is sourced from PubChem (CID 91033920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).