2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine

C15H25NOS — CID 64619962

IUPAC2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Sc1ccc(OC)cc1
InChIInChI=1S/C15H25NOS/c1-5-11-16-15(6-2)12(3)18-14-9-7-13(17-4)8-10-14/h7-10,12,15-16H,5-6,11H2,1-4H3
InChIKeyNILNUXVWEICYIK-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.95
Rot. Bonds8

About 2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine

2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine (PubChem CID 64619962) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine
PubChem CID64619962
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Sc1ccc(OC)cc1
InChIInChI=1S/C15H25NOS/c1-5-11-16-15(6-2)12(3)18-14-9-7-13(17-4)8-10-14/h7-10,12,15-16H,5-6,11H2,1-4H3
InChIKeyNILNUXVWEICYIK-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine
CID 64633184
2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine
CID 79308493
1-(1-chloropropylsulfanyl)-4-methoxybenzene
CID 67755677
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
1-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)-N-propylpropan-1-amine
CID 107763220
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
CID 63526528
4-(4-methoxyphenyl)sulfanyl-2-(propylamino)butanenitrile
CID 63054595
3-(4-tert-butylphenyl)sulfanyl-N-propylbutan-2-amine
CID 64649240
4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 116717162

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine (CID 64619962) is 2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine is CCCNC(CC)C(C)Sc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine?
The InChIKey is NILNUXVWEICYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-11-16-15(6-2)12(3)18-14-9-7-13(17-4)8-10-14/h7-10,12,15-16H,5-6,11H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine?
2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine has a molecular weight of 267.44 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine is sourced from PubChem (CID 64619962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).