2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol

C17H28N2O2 — CID 102860441

IUPAC2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol
SMILESCCC(N)C(c1ccccc1OC)N(CCO)C1CCC1
InChIInChI=1S/C17H28N2O2/c1-3-15(18)17(14-9-4-5-10-16(14)21-2)19(11-12-20)13-7-6-8-13/h4-5,9-10,13,15,17,20H,3,6-8,11-12,18H2,1-2H3
InChIKeyMIWCVOFAKBMANR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.32
Rot. Bonds8

About 2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol

2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol (PubChem CID 102860441) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol
PubChem CID102860441
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol
SMILESCCC(N)C(c1ccccc1OC)N(CCO)C1CCC1
InChIInChI=1S/C17H28N2O2/c1-3-15(18)17(14-9-4-5-10-16(14)21-2)19(11-12-20)13-7-6-8-13/h4-5,9-10,13,15,17,20H,3,6-8,11-12,18H2,1-2H3
InChIKeyMIWCVOFAKBMANR-UHFFFAOYSA-N
XLogP2.32
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol
CID 102860245
1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine
CID 55021740
2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol
CID 103958723
2-[2-(1-aminopropyl)-N-cyclohexylanilino]ethanol
CID 115995044
1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81036559
1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine
CID 79481507
3-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol
CID 102859881
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
CID 55022362
1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 55021597
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol (CID 102860441) is 2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol is CCC(N)C(c1ccccc1OC)N(CCO)C1CCC1.
What is the InChIKey of 2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol?
The InChIKey is MIWCVOFAKBMANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-15(18)17(14-9-4-5-10-16(14)21-2)19(11-12-20)13-7-6-8-13/h4-5,9-10,13,15,17,20H,3,6-8,11-12,18H2,1-2H3.
What are the key properties of 2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol?
2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol has a molecular weight of 292.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol is sourced from PubChem (CID 102860441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).