2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol

C15H26N2O — CID 63700124

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol
SMILESCCC(C(O)c1ccccc1)N(C)CCN(C)C
InChIInChI=1S/C15H26N2O/c1-5-14(17(4)12-11-16(2)3)15(18)13-9-7-6-8-10-13/h6-10,14-15,18H,5,11-12H2,1-4H3
InChIKeyKZPFYNIOZFPKJL-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.99
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol

2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol (PubChem CID 63700124) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol
PubChem CID63700124
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol
SMILESCCC(C(O)c1ccccc1)N(C)CCN(C)C
InChIInChI=1S/C15H26N2O/c1-5-14(17(4)12-11-16(2)3)15(18)13-9-7-6-8-10-13/h6-10,14-15,18H,5,11-12H2,1-4H3
InChIKeyKZPFYNIOZFPKJL-UHFFFAOYSA-N
XLogP1.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride
CID 138400764
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-phenylbutane-1,2-diamine
CID 63695372
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol
CID 63273656
2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol
CID 63472847
2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
CID 62619340
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
2-[2-hydroxyethyl(methyl)amino]-1,2-diphenylethanol
CID 14391199
2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol
CID 82980424
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine
CID 65487407

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol (CID 63700124) is 2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol is CCC(C(O)c1ccccc1)N(C)CCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol?
The InChIKey is KZPFYNIOZFPKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-14(17(4)12-11-16(2)3)15(18)13-9-7-6-8-10-13/h6-10,14-15,18H,5,11-12H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol?
2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol is sourced from PubChem (CID 63700124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).