4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol

C14H24N2O — CID 103192624

IUPAC4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)C(C)CN(C)C
InChIInChI=1S/C14H24N2O/c1-5-16(12(2)10-15(3)4)11-13-6-8-14(17)9-7-13/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyTWVUWILZGOXTIQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.16
Rot. Bonds6

About 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol

4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol (PubChem CID 103192624) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
PubChem CID103192624
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)C(C)CN(C)C
InChIInChI=1S/C14H24N2O/c1-5-16(12(2)10-15(3)4)11-13-6-8-14(17)9-7-13/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyTWVUWILZGOXTIQ-UHFFFAOYSA-N
XLogP2.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol
CID 107694130
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
CID 103189217
2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 107740422
2-N-ethyl-2-N-[[3-(ethylaminomethyl)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191702
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-methoxybenzenecarbothioamide
CID 103189034
ethane;4-[[3-methylbutyl(propan-2-yl)amino]methyl]phenol
CID 156850117
4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol
CID 104556834
2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189441
4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol
CID 143325081
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]thiophene-2-carboxylic acid
CID 103189702
4-[[hydroxy(propan-2-yl)amino]methyl]phenol
CID 10487648
4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol
CID 82982431

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol?
The IUPAC name of 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol (CID 103192624) is 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol.
What is the SMILES notation for 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol?
The canonical SMILES for 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol is CCN(Cc1ccc(O)cc1)C(C)CN(C)C.
What is the InChIKey of 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol?
The InChIKey is TWVUWILZGOXTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-16(12(2)10-15(3)4)11-13-6-8-14(17)9-7-13/h6-9,12,17H,5,10-11H2,1-4H3.
What are the key properties of 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol?
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol has a molecular weight of 236.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol is sourced from PubChem (CID 103192624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).