4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol

C15H26N2O — CID 54953461

IUPAC4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol
SMILESCC(NC(CN(C)C)C(C)C)c1ccc(O)cc1
InChIInChI=1S/C15H26N2O/c1-11(2)15(10-17(4)5)16-12(3)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,18H,10H2,1-5H3
InChIKeyTWGJDGOKERVTBC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.63
Rot. Bonds6

About 4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol

4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol (PubChem CID 54953461) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol
PubChem CID54953461
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol
SMILESCC(NC(CN(C)C)C(C)C)c1ccc(O)cc1
InChIInChI=1S/C15H26N2O/c1-11(2)15(10-17(4)5)16-12(3)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,18H,10H2,1-5H3
InChIKeyTWGJDGOKERVTBC-UHFFFAOYSA-N
XLogP2.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953620
1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine
CID 54954174
2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476456
4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131345
3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol
CID 79254457
3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 79253731
2-N-[1-(4-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476843
2-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476972
(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
CID 124511733
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol
CID 61476921
2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride
CID 122360330

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol?
The IUPAC name of 4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol (CID 54953461) is 4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol is CC(NC(CN(C)C)C(C)C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol?
The InChIKey is TWGJDGOKERVTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)15(10-17(4)5)16-12(3)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,18H,10H2,1-5H3.
What are the key properties of 4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol?
4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol has a molecular weight of 250.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 54953461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).