4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol

C17H30N2O — CID 82982431

IUPAC4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol
SMILESCC(C)CN(CCN(C)C)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C17H30N2O/c1-14(2)13-19(11-10-18(4)5)15(3)12-16-6-8-17(20)9-7-16/h6-9,14-15,20H,10-13H2,1-5H3
InChIKeyAXOURDFHNNWOGS-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.84
Rot. Bonds8

About 4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol

4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol (PubChem CID 82982431) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol
PubChem CID82982431
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol
SMILESCC(C)CN(CCN(C)C)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C17H30N2O/c1-14(2)13-19(11-10-18(4)5)15(3)12-16-6-8-17(20)9-7-16/h6-9,14-15,20H,10-13H2,1-5H3
InChIKeyAXOURDFHNNWOGS-UHFFFAOYSA-N
XLogP2.84
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981802
2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid
CID 107426370
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 103192624
4-[1-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981957
4-[(2S)-3-chloro-2-[[[(2S)-1-chloro-3-(4-hydroxyphenyl)propan-2-yl]-(2-methylpropyl)amino]-(2-methylpropyl)amino]propyl]phenol
CID 57106804
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol
CID 115494195
2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide
CID 80505706
N'-[4-(2-aminobutyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63794361
4-[methyl(2-methylpropyl)amino]phenol
CID 57245584
2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide
CID 10587477
4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
CID 115496116

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol?
The IUPAC name of 4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol (CID 82982431) is 4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol is CC(C)CN(CCN(C)C)C(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol?
The InChIKey is AXOURDFHNNWOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)13-19(11-10-18(4)5)15(3)12-16-6-8-17(20)9-7-16/h6-9,14-15,20H,10-13H2,1-5H3.
What are the key properties of 4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol?
4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol has a molecular weight of 278.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol is sourced from PubChem (CID 82982431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).