[4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol

C21H22N2O — CID 110009844

IUPAC[4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol
SMILESCC(NCc1ccc(CO)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H22N2O/c1-16(23-14-17-2-4-18(15-24)5-3-17)19-6-8-20(9-7-19)21-10-12-22-13-11-21/h2-13,16,23-24H,14-15H2,1H3
InChIKeyPLMNBGTWQVELBI-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.09
Rot. Bonds6

About [4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol

[4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol (PubChem CID 110009844) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol
PubChem CID110009844
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name[4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol
SMILESCC(NCc1ccc(CO)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H22N2O/c1-16(23-14-17-2-4-18(15-24)5-3-17)19-6-8-20(9-7-19)21-10-12-22-13-11-21/h2-13,16,23-24H,14-15H2,1H3
InChIKeyPLMNBGTWQVELBI-UHFFFAOYSA-N
XLogP4.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
4-[1-[[4-(hydroxymethyl)phenyl]methylamino]ethyl]benzonitrile
CID 110009797
[4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol
CID 107230241
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
2-[4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenyl]acetic acid
CID 103258913
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
3-[1-(4-pyridin-4-ylphenyl)ethylamino]propanoic acid
CID 139017053
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759133
[4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol
CID 110009803
(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28644901

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol (CID 110009844) is [4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol is CC(NCc1ccc(CO)cc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of [4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol?
The InChIKey is PLMNBGTWQVELBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-16(23-14-17-2-4-18(15-24)5-3-17)19-6-8-20(9-7-19)21-10-12-22-13-11-21/h2-13,16,23-24H,14-15H2,1H3.
What are the key properties of [4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol?
[4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol has a molecular weight of 318.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 110009844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).