3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol

C17H22N2O — CID 43181834

IUPAC3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol
SMILESCN(C)CC(NCc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-19(2)13-17(15-8-4-3-5-9-15)18-12-14-7-6-10-16(20)11-14/h3-11,17-18,20H,12-13H2,1-2H3
InChIKeyUGLNSBMQUUDDES-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.78
Rot. Bonds6

About 3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol

3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol (PubChem CID 43181834) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol
PubChem CID43181834
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol
SMILESCN(C)CC(NCc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-19(2)13-17(15-8-4-3-5-9-15)18-12-14-7-6-10-16(20)11-14/h3-11,17-18,20H,12-13H2,1-2H3
InChIKeyUGLNSBMQUUDDES-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol
CID 82946106
N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78824238
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823901
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823902
N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43181795
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 61324922
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide
CID 86994360
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile
CID 62780389

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol?
The IUPAC name of 3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol (CID 43181834) is 3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol?
The canonical SMILES for 3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol is CN(C)CC(NCc1cccc(O)c1)c1ccccc1.
What is the InChIKey of 3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol?
The InChIKey is UGLNSBMQUUDDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(2)13-17(15-8-4-3-5-9-15)18-12-14-7-6-10-16(20)11-14/h3-11,17-18,20H,12-13H2,1-2H3.
What are the key properties of 3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol?
3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol has a molecular weight of 270.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol is sourced from PubChem (CID 43181834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).