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

C14H24N2O2 — CID 113499536

IUPAC4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol
SMILESCOc1ccc(C(CN)N(C)CCC(C)O)cc1
InChIInChI=1S/C14H24N2O2/c1-11(17)8-9-16(2)14(10-15)12-4-6-13(18-3)7-5-12/h4-7,11,14,17H,8-10,15H2,1-3H3
InChIKeyBHGGHADDYRSMPB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.40
Rot. Bonds7

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

4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol (PubChem CID 113499536) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol
PubChem CID113499536
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol
SMILESCOc1ccc(C(CN)N(C)CCC(C)O)cc1
InChIInChI=1S/C14H24N2O2/c1-11(17)8-9-16(2)14(10-15)12-4-6-13(18-3)7-5-12/h4-7,11,14,17H,8-10,15H2,1-3H3
InChIKeyBHGGHADDYRSMPB-UHFFFAOYSA-N
XLogP1.40
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]-2-methylpropanenitrile
CID 55016102
N'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine
CID 94548212
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420601
1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 115985624
1-(4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570775
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61429742
2-(4-methoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 111122510
N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695333
1-amino-3-(4-methoxyphenyl)butan-2-ol
CID 82076051
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol
CID 55015957
3-[3-hydroxybutyl(methyl)amino]-3-phenylpropanenitrile
CID 113499592
N-(3-hydroxybutyl)-2-(4-methoxyphenyl)sulfanyl-N-methylacetamide
CID 115691423

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol?
The IUPAC name of 4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol (CID 113499536) is 4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol.
What is the SMILES notation for 4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol?
The canonical SMILES for 4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol is COc1ccc(C(CN)N(C)CCC(C)O)cc1.
What is the InChIKey of 4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol?
The InChIKey is BHGGHADDYRSMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(17)8-9-16(2)14(10-15)12-4-6-13(18-3)7-5-12/h4-7,11,14,17H,8-10,15H2,1-3H3.
What are the key properties of 4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol?
4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol is sourced from PubChem (CID 113499536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).