[4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol

C15H25NOS — CID 114125587

IUPAC[4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol
SMILESCSCCCCCCNCc1ccc(CO)cc1
InChIInChI=1S/C15H25NOS/c1-18-11-5-3-2-4-10-16-12-14-6-8-15(13-17)9-7-14/h6-9,16-17H,2-5,10-13H2,1H3
InChIKeySWTWRGCZNRSHNY-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.19
Rot. Bonds10

About [4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol

[4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol (PubChem CID 114125587) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is [4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol
PubChem CID114125587
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name[4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol
SMILESCSCCCCCCNCc1ccc(CO)cc1
InChIInChI=1S/C15H25NOS/c1-18-11-5-3-2-4-10-16-12-14-6-8-15(13-17)9-7-14/h6-9,16-17H,2-5,10-13H2,1H3
InChIKeySWTWRGCZNRSHNY-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923086
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
5-methylsulfanyl-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 114126756
4-[(4-methylsulfanylbutylamino)methyl]benzamide
CID 113239088
4-[(4-methylsulfanylbutylamino)methyl]benzene-1,2-diol
CID 115978612
5-methylsulfanyl-N-[(4-nitrophenyl)methyl]pentan-1-amine
CID 104923073
4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 115639283
N-[(4-butoxyphenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639330
4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
CID 107230759
3-[(4-methylsulfanylbutylamino)methyl]phenol
CID 115639371
N-[(4-chloro-3-fluorophenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923213
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639231

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol (CID 114125587) is [4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol is CSCCCCCCNCc1ccc(CO)cc1.
What is the InChIKey of [4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol?
The InChIKey is SWTWRGCZNRSHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-18-11-5-3-2-4-10-16-12-14-6-8-15(13-17)9-7-14/h6-9,16-17H,2-5,10-13H2,1H3.
What are the key properties of [4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol?
[4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol has a molecular weight of 267.44 g/mol, XLogP of 3.19, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol is sourced from PubChem (CID 114125587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).