4-[1-[(4-ethylphenyl)methylamino]propyl]phenol

C18H23NO — CID 106899400

IUPAC4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
SMILESCCc1ccc(CNC(CC)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-14-5-7-15(8-6-14)13-19-18(4-2)16-9-11-17(20)12-10-16/h5-12,18-20H,3-4,13H2,1-2H3
InChIKeyRWQMMDDGSYOKTL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.20
Rot. Bonds6

About 4-[1-[(4-ethylphenyl)methylamino]propyl]phenol

4-[1-[(4-ethylphenyl)methylamino]propyl]phenol (PubChem CID 106899400) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[1-[(4-ethylphenyl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
PubChem CID106899400
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
SMILESCCc1ccc(CNC(CC)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-14-5-7-15(8-6-14)13-19-18(4-2)16-9-11-17(20)12-10-16/h5-12,18-20H,3-4,13H2,1-2H3
InChIKeyRWQMMDDGSYOKTL-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(4-hydroxyphenyl)propylamino]methyl]benzonitrile
CID 60918427
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046
4-[1-[(2-ethylphenyl)methylamino]propyl]phenol
CID 64680918
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63454016
N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 60709706
4-[1-(2,2-dimethoxyethylamino)propyl]phenol
CID 54921747
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
3-[1-(4-ethylphenyl)propylamino]propanoic acid
CID 43310130
4-[(1-phenylhexylamino)methyl]phenol
CID 115715711
4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol
CID 62321765

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-ethylphenyl)methylamino]propyl]phenol?
The IUPAC name of 4-[1-[(4-ethylphenyl)methylamino]propyl]phenol (CID 106899400) is 4-[1-[(4-ethylphenyl)methylamino]propyl]phenol.
What is the SMILES notation for 4-[1-[(4-ethylphenyl)methylamino]propyl]phenol?
The canonical SMILES for 4-[1-[(4-ethylphenyl)methylamino]propyl]phenol is CCc1ccc(CNC(CC)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-[(4-ethylphenyl)methylamino]propyl]phenol?
The InChIKey is RWQMMDDGSYOKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-14-5-7-15(8-6-14)13-19-18(4-2)16-9-11-17(20)12-10-16/h5-12,18-20H,3-4,13H2,1-2H3.
What are the key properties of 4-[1-[(4-ethylphenyl)methylamino]propyl]phenol?
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-ethylphenyl)methylamino]propyl]phenol is sourced from PubChem (CID 106899400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).