[4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol

C21H22N2O2 — CID 170025838

IUPAC[4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol
SMILESCOc1ccc(CN(Cc2ccc(CO)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H22N2O2/c1-25-21-10-8-18(9-11-21)15-23(20-3-2-12-22-13-20)14-17-4-6-19(16-24)7-5-17/h2-13,24H,14-16H2,1H3
InChIKeyXMMMUBDFUNIGGD-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.79
Rot. Bonds7

About [4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol

[4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol (PubChem CID 170025838) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is [4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol
PubChem CID170025838
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name[4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol
SMILESCOc1ccc(CN(Cc2ccc(CO)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H22N2O2/c1-25-21-10-8-18(9-11-21)15-23(20-3-2-12-22-13-20)14-17-4-6-19(16-24)7-5-17/h2-13,24H,14-16H2,1H3
InChIKeyXMMMUBDFUNIGGD-UHFFFAOYSA-N
XLogP3.79
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
(4-methoxyphenyl)methanol
CID 7738
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771920
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110360643
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 55134024
(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol
CID 96540909
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide
CID 42111354
3-[benzyl-[(4-methoxyphenyl)methyl]amino]benzoic acid
CID 11725248

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol (CID 170025838) is [4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol is COc1ccc(CN(Cc2ccc(CO)cc2)c2cccnc2)cc1.
What is the InChIKey of [4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol?
The InChIKey is XMMMUBDFUNIGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-21-10-8-18(9-11-21)15-23(20-3-2-12-22-13-20)14-17-4-6-19(16-24)7-5-17/h2-13,24H,14-16H2,1H3.
What are the key properties of [4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol?
[4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol has a molecular weight of 334.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol is sourced from PubChem (CID 170025838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).