4-[3-[(4-methylphenyl)methylamino]butyl]phenol

C18H23NO — CID 43196100

IUPAC4-[3-[(4-methylphenyl)methylamino]butyl]phenol
SMILESCc1ccc(CNC(C)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO/c1-14-3-6-17(7-4-14)13-19-15(2)5-8-16-9-11-18(20)12-10-16/h3-4,6-7,9-12,15,19-20H,5,8,13H2,1-2H3
InChIKeyGDFWCYKNVYMUCV-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.81
Rot. Bonds6

About 4-[3-[(4-methylphenyl)methylamino]butyl]phenol

4-[3-[(4-methylphenyl)methylamino]butyl]phenol (PubChem CID 43196100) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[3-[(4-methylphenyl)methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(4-methylphenyl)methylamino]butyl]phenol
PubChem CID43196100
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[3-[(4-methylphenyl)methylamino]butyl]phenol
SMILESCc1ccc(CNC(C)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO/c1-14-3-6-17(7-4-14)13-19-15(2)5-8-16-9-11-18(20)12-10-16/h3-4,6-7,9-12,15,19-20H,5,8,13H2,1-2H3
InChIKeyGDFWCYKNVYMUCV-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
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4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689
4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
CID 119122210
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
4-[3-[(1-methylpyrrol-3-yl)methylamino]butyl]phenol
CID 66397478
4-[3-[(3-methylfuran-2-yl)methylamino]butyl]phenol
CID 115653278
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol
CID 97051524
4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol
CID 62322123
4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol
CID 43746723
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methylphenyl)methylamino]butyl]phenol?
The IUPAC name of 4-[3-[(4-methylphenyl)methylamino]butyl]phenol (CID 43196100) is 4-[3-[(4-methylphenyl)methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[(4-methylphenyl)methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[(4-methylphenyl)methylamino]butyl]phenol is Cc1ccc(CNC(C)CCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[3-[(4-methylphenyl)methylamino]butyl]phenol?
The InChIKey is GDFWCYKNVYMUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-3-6-17(7-4-14)13-19-15(2)5-8-16-9-11-18(20)12-10-16/h3-4,6-7,9-12,15,19-20H,5,8,13H2,1-2H3.
What are the key properties of 4-[3-[(4-methylphenyl)methylamino]butyl]phenol?
4-[3-[(4-methylphenyl)methylamino]butyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methylphenyl)methylamino]butyl]phenol is sourced from PubChem (CID 43196100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).