4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol

C15H26N2O — CID 117039279

IUPAC4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol
SMILESCCc1ccc(CCN(C)CC(O)CCN)cc1
InChIInChI=1S/C15H26N2O/c1-3-13-4-6-14(7-5-13)9-11-17(2)12-15(18)8-10-16/h4-7,15,18H,3,8-12,16H2,1-2H3
InChIKeyLDGKAKBVCYKULD-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.43
Rot. Bonds8

About 4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol

4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol (PubChem CID 117039279) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol
PubChem CID117039279
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol
SMILESCCc1ccc(CCN(C)CC(O)CCN)cc1
InChIInChI=1S/C15H26N2O/c1-3-13-4-6-14(7-5-13)9-11-17(2)12-15(18)8-10-16/h4-7,15,18H,3,8-12,16H2,1-2H3
InChIKeyLDGKAKBVCYKULD-UHFFFAOYSA-N
XLogP1.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol
CID 117039305
1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115121708
4-amino-1-[2-(3-bromophenyl)ethyl-methylamino]butan-2-ol
CID 117039318
1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
CID 115121707
4-amino-1-(N-methyl-4-propylanilino)butan-2-ol
CID 117039080
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
CID 115122383
2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile
CID 115254101
4-amino-1-[(3-fluorophenyl)methyl-methylamino]butan-2-ol
CID 117039251
4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol
CID 117039266
2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 115255184
3-amino-1-(4-ethylphenyl)propan-1-ol
CID 55269424

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol?
The IUPAC name of 4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol (CID 117039279) is 4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol?
The canonical SMILES for 4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol is CCc1ccc(CCN(C)CC(O)CCN)cc1.
What is the InChIKey of 4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol?
The InChIKey is LDGKAKBVCYKULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-13-4-6-14(7-5-13)9-11-17(2)12-15(18)8-10-16/h4-7,15,18H,3,8-12,16H2,1-2H3.
What are the key properties of 4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol?
4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol is sourced from PubChem (CID 117039279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).