4-[4-[benzyl(methyl)amino]butyl]phenol

C18H23NO — CID 82188000

IUPAC4-[4-[benzyl(methyl)amino]butyl]phenol
SMILESCN(CCCCc1ccc(O)cc1)Cc1ccccc1
InChIInChI=1S/C18H23NO/c1-19(15-17-8-3-2-4-9-17)14-6-5-7-16-10-12-18(20)13-11-16/h2-4,8-13,20H,5-7,14-15H2,1H3
InChIKeyXVCHKRLGRLYUMK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.85
Rot. Bonds7

About 4-[4-[benzyl(methyl)amino]butyl]phenol

4-[4-[benzyl(methyl)amino]butyl]phenol (PubChem CID 82188000) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[4-[benzyl(methyl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[4-[benzyl(methyl)amino]butyl]phenol
PubChem CID82188000
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[4-[benzyl(methyl)amino]butyl]phenol
SMILESCN(CCCCc1ccc(O)cc1)Cc1ccccc1
InChIInChI=1S/C18H23NO/c1-19(15-17-8-3-2-4-9-17)14-6-5-7-16-10-12-18(20)13-11-16/h2-4,8-13,20H,5-7,14-15H2,1H3
InChIKeyXVCHKRLGRLYUMK-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068076
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
bis(N-methyl-N-(4-phenylbutyl)nonan-1-amine);oxalic acid
CID 173427638
9-[benzyl(methyl)amino]nonane-1-thiol
CID 105344021
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine
CID 70694658
2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol
CID 110932562
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
2-[2-[benzyl(methyl)amino]ethyl]phenol
CID 70480829
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975
3-[[methyl(3-phenylpropyl)amino]methyl]benzenecarbothioamide
CID 62967219

Frequently Asked Questions

What is the IUPAC name of 4-[4-[benzyl(methyl)amino]butyl]phenol?
The IUPAC name of 4-[4-[benzyl(methyl)amino]butyl]phenol (CID 82188000) is 4-[4-[benzyl(methyl)amino]butyl]phenol.
What is the SMILES notation for 4-[4-[benzyl(methyl)amino]butyl]phenol?
The canonical SMILES for 4-[4-[benzyl(methyl)amino]butyl]phenol is CN(CCCCc1ccc(O)cc1)Cc1ccccc1.
What is the InChIKey of 4-[4-[benzyl(methyl)amino]butyl]phenol?
The InChIKey is XVCHKRLGRLYUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-19(15-17-8-3-2-4-9-17)14-6-5-7-16-10-12-18(20)13-11-16/h2-4,8-13,20H,5-7,14-15H2,1H3.
What are the key properties of 4-[4-[benzyl(methyl)amino]butyl]phenol?
4-[4-[benzyl(methyl)amino]butyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[benzyl(methyl)amino]butyl]phenol is sourced from PubChem (CID 82188000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).