[3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol

C18H23NO — CID 103781733

IUPAC[3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol
SMILESCCc1ccc(C(C)NCc2cccc(CO)c2)cc1
InChIInChI=1S/C18H23NO/c1-3-15-7-9-18(10-8-15)14(2)19-12-16-5-4-6-17(11-16)13-20/h4-11,14,19-20H,3,12-13H2,1-2H3
InChIKeyHMPQRZFVLYSHNG-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.59
Rot. Bonds6

About [3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol

[3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol (PubChem CID 103781733) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol
PubChem CID103781733
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol
SMILESCCc1ccc(C(C)NCc2cccc(CO)c2)cc1
InChIInChI=1S/C18H23NO/c1-3-15-7-9-18(10-8-15)14(2)19-12-16-5-4-6-17(11-16)13-20/h4-11,14,19-20H,3,12-13H2,1-2H3
InChIKeyHMPQRZFVLYSHNG-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol
CID 103729618
[3-[(butan-2-ylamino)methyl]phenyl]methanol
CID 115717741
4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol
CID 107229768
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221490
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
[3-[1-(ethylamino)ethyl]phenyl]methanol
CID 115776701
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol (CID 103781733) is [3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol is CCc1ccc(C(C)NCc2cccc(CO)c2)cc1.
What is the InChIKey of [3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol?
The InChIKey is HMPQRZFVLYSHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-15-7-9-18(10-8-15)14(2)19-12-16-5-4-6-17(11-16)13-20/h4-11,14,19-20H,3,12-13H2,1-2H3.
What are the key properties of [3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol?
[3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol has a molecular weight of 269.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 103781733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).