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

C18H24N2O2 — CID 43823560

IUPAC4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol
SMILESCOc1cccc(C(CNCc2ccc(O)cc2)N(C)C)c1
InChIInChI=1S/C18H24N2O2/c1-20(2)18(15-5-4-6-17(11-15)22-3)13-19-12-14-7-9-16(21)10-8-14/h4-11,18-19,21H,12-13H2,1-3H3
InChIKeyKJSFQAGAMZYDNF-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.79
Rot. Bonds7

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

4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol (PubChem CID 43823560) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol
PubChem CID43823560
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol
SMILESCOc1cccc(C(CNCc2ccc(O)cc2)N(C)C)c1
InChIInChI=1S/C18H24N2O2/c1-20(2)18(15-5-4-6-17(11-15)22-3)13-19-12-14-7-9-16(21)10-8-14/h4-11,18-19,21H,12-13H2,1-3H3
InChIKeyKJSFQAGAMZYDNF-UHFFFAOYSA-N
XLogP2.79
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol with MolForge

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Related Compounds

1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(3,4,5-trifluorophenyl)methyl]ethane-1,2-diamine
CID 119126444
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
CID 66408691
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
N'-(2,2-dimethoxyethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 63686447
1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 43823561
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 65458499
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 103605370
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 43398367
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propanoate
CID 43093101
N'-(3-fluoropropyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 81106317
2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 28596145
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244979

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol (CID 43823560) is 4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol is COc1cccc(C(CNCc2ccc(O)cc2)N(C)C)c1.
What is the InChIKey of 4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol?
The InChIKey is KJSFQAGAMZYDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-20(2)18(15-5-4-6-17(11-15)22-3)13-19-12-14-7-9-16(21)10-8-14/h4-11,18-19,21H,12-13H2,1-3H3.
What are the key properties of 4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol?
4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol has a molecular weight of 300.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 43823560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).