[3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol

C17H30N2O2 — CID 62019689

IUPAC[3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1CN(CCN(C)C)CC(C)C
InChIInChI=1S/C17H30N2O2/c1-14(2)11-19(9-8-18(3)4)12-16-10-15(13-20)6-7-17(16)21-5/h6-7,10,14,20H,8-9,11-13H2,1-5H3
InChIKeyJRCNROZCOLDEOL-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.21
Rot. Bonds9

About [3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol

[3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol (PubChem CID 62019689) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is [3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol
PubChem CID62019689
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name[3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1CN(CCN(C)C)CC(C)C
InChIInChI=1S/C17H30N2O2/c1-14(2)11-19(9-8-18(3)4)12-16-10-15(13-20)6-7-17(16)21-5/h6-7,10,14,20H,8-9,11-13H2,1-5H3
InChIKeyJRCNROZCOLDEOL-UHFFFAOYSA-N
XLogP2.21
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(dipropylamino)methyl]-4-methoxyphenyl]methanol
CID 62018767
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65338850
[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol
CID 62019697
[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol
CID 62019327
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65340694
[4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol
CID 62019700
3-[(5-acetyl-2-methoxyphenyl)methyl-(2-methylpropyl)amino]propanenitrile
CID 60691394
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol
CID 113425969
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
3-[[bis(3-methylbutyl)amino]methyl]-4-methoxyaniline
CID 107869299
N-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870844
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62018369

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol?
The IUPAC name of [3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol (CID 62019689) is [3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol?
The canonical SMILES for [3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol is COc1ccc(CO)cc1CN(CCN(C)C)CC(C)C.
What is the InChIKey of [3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol?
The InChIKey is JRCNROZCOLDEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14(2)11-19(9-8-18(3)4)12-16-10-15(13-20)6-7-17(16)21-5/h6-7,10,14,20H,8-9,11-13H2,1-5H3.
What are the key properties of [3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol?
[3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol has a molecular weight of 294.44 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol is sourced from PubChem (CID 62019689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).