4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol

C15H23NOS — CID 114122743

IUPAC4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol
SMILESCSC1CCC(NC(C)Cc2ccc(O)cc2)C1
InChIInChI=1S/C15H23NOS/c1-11(9-12-3-6-14(17)7-4-12)16-13-5-8-15(10-13)18-2/h3-4,6-7,11,13,15-17H,5,8-10H2,1-2H3
InChIKeyMQOZTFNVPFAIKV-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.20
Rot. Bonds5

About 4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol

4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol (PubChem CID 114122743) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol
PubChem CID114122743
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol
SMILESCSC1CCC(NC(C)Cc2ccc(O)cc2)C1
InChIInChI=1S/C15H23NOS/c1-11(9-12-3-6-14(17)7-4-12)16-13-5-8-15(10-13)18-2/h3-4,6-7,11,13,15-17H,5,8-10H2,1-2H3
InChIKeyMQOZTFNVPFAIKV-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
1-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R,3R)-3-methylsulfanylcyclopentyl]urea
CID 99850435
4-[2-[(4-propylcyclohexyl)amino]propyl]phenol
CID 78943354
3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine
CID 103787278
2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzene-1,4-diol
CID 114122802
4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol
CID 71369040
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582
2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide
CID 115494179
N-(4-methoxy-4-methylpentan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115724640
5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol
CID 104582755
N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
CID 82262595

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol?
The IUPAC name of 4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol (CID 114122743) is 4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol is CSC1CCC(NC(C)Cc2ccc(O)cc2)C1.
What is the InChIKey of 4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol?
The InChIKey is MQOZTFNVPFAIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(9-12-3-6-14(17)7-4-12)16-13-5-8-15(10-13)18-2/h3-4,6-7,11,13,15-17H,5,8-10H2,1-2H3.
What are the key properties of 4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol?
4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol has a molecular weight of 265.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol is sourced from PubChem (CID 114122743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).