2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol

C13H19ClN2O — CID 102859788

IUPAC2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol
SMILESNCc1c(Cl)cccc1N(CCO)C1CCC1
InChIInChI=1S/C13H19ClN2O/c14-12-5-2-6-13(11(12)9-15)16(7-8-17)10-3-1-4-10/h2,5-6,10,17H,1,3-4,7-9,15H2
InChIKeyFIGWNTABTFIFBQ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.15
Rot. Bonds5

About 2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol

2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol (PubChem CID 102859788) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol
PubChem CID102859788
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol
SMILESNCc1c(Cl)cccc1N(CCO)C1CCC1
InChIInChI=1S/C13H19ClN2O/c14-12-5-2-6-13(11(12)9-15)16(7-8-17)10-3-1-4-10/h2,5-6,10,17H,1,3-4,7-9,15H2
InChIKeyFIGWNTABTFIFBQ-UHFFFAOYSA-N
XLogP2.15
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline
CID 28965176
2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol
CID 102859508
2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol
CID 107932834
[2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol
CID 28945722
2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
CID 55152420
2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol
CID 62945689
2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
CID 54994680
2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
CID 102863255
3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline
CID 43541411
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline
CID 63786686
2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide
CID 102868412

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol (CID 102859788) is 2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol is NCc1c(Cl)cccc1N(CCO)C1CCC1.
What is the InChIKey of 2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol?
The InChIKey is FIGWNTABTFIFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-12-5-2-6-13(11(12)9-15)16(7-8-17)10-3-1-4-10/h2,5-6,10,17H,1,3-4,7-9,15H2.
What are the key properties of 2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol?
2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol has a molecular weight of 254.76 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol is sourced from PubChem (CID 102859788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).