[2-[(3-propoxyphenyl)methylamino]phenyl]methanol

C17H21NO2 — CID 61017001

IUPAC[2-[(3-propoxyphenyl)methylamino]phenyl]methanol
SMILESCCCOc1cccc(CNc2ccccc2CO)c1
InChIInChI=1S/C17H21NO2/c1-2-10-20-16-8-5-6-14(11-16)12-18-17-9-4-3-7-15(17)13-19/h3-9,11,18-19H,2,10,12-13H2,1H3
InChIKeyHCQMCZMDQQSOQF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.58
Rot. Bonds7

About [2-[(3-propoxyphenyl)methylamino]phenyl]methanol

[2-[(3-propoxyphenyl)methylamino]phenyl]methanol (PubChem CID 61017001) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [2-[(3-propoxyphenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(3-propoxyphenyl)methylamino]phenyl]methanol
PubChem CID61017001
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[2-[(3-propoxyphenyl)methylamino]phenyl]methanol
SMILESCCCOc1cccc(CNc2ccccc2CO)c1
InChIInChI=1S/C17H21NO2/c1-2-10-20-16-8-5-6-14(11-16)12-18-17-9-4-3-7-15(17)13-19/h3-9,11,18-19H,2,10,12-13H2,1H3
InChIKeyHCQMCZMDQQSOQF-UHFFFAOYSA-N
XLogP3.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360348
3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline
CID 63454865
2-(2-methylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54800051
2-(3-phenylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54801278
2-butoxy-N-[(3-butoxyphenyl)methyl]aniline
CID 54801697
N-[(3-butoxyphenyl)methyl]-2-methylaniline
CID 39369088
N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 60874269
2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine
CID 61016634
4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54796698
2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile
CID 43764488
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
2-(hydroxymethyl)-2-[(3-propoxyphenyl)methylamino]propane-1,3-diol
CID 107850468

Frequently Asked Questions

What is the IUPAC name of [2-[(3-propoxyphenyl)methylamino]phenyl]methanol?
The IUPAC name of [2-[(3-propoxyphenyl)methylamino]phenyl]methanol (CID 61017001) is [2-[(3-propoxyphenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [2-[(3-propoxyphenyl)methylamino]phenyl]methanol?
The canonical SMILES for [2-[(3-propoxyphenyl)methylamino]phenyl]methanol is CCCOc1cccc(CNc2ccccc2CO)c1.
What is the InChIKey of [2-[(3-propoxyphenyl)methylamino]phenyl]methanol?
The InChIKey is HCQMCZMDQQSOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-10-20-16-8-5-6-14(11-16)12-18-17-9-4-3-7-15(17)13-19/h3-9,11,18-19H,2,10,12-13H2,1H3.
What are the key properties of [2-[(3-propoxyphenyl)methylamino]phenyl]methanol?
[2-[(3-propoxyphenyl)methylamino]phenyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-propoxyphenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 61017001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).