2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol

C15H23ClN2O — CID 102863479

IUPAC2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol
SMILESCNC(C)c1ccc(N(CCO)C2CCC2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(17-2)12-6-7-15(14(16)10-12)18(8-9-19)13-4-3-5-13/h6-7,10-11,13,17,19H,3-5,8-9H2,1-2H3
InChIKeyXSHADIHITCPQCV-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.97
Rot. Bonds6

About 2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol

2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol (PubChem CID 102863479) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol.

Molecular Properties

Compound Name2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol
PubChem CID102863479
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol
SMILESCNC(C)c1ccc(N(CCO)C2CCC2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(17-2)12-6-7-15(14(16)10-12)18(8-9-19)13-4-3-5-13/h6-7,10-11,13,17,19H,3-5,8-9H2,1-2H3
InChIKeyXSHADIHITCPQCV-UHFFFAOYSA-N
XLogP2.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol
CID 102863575
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
CID 62911690
2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770
(1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78940497
3-[2-bromo-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 102863360
2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63533268
3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 81145443
(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940583
1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol
CID 62909882
4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
CID 78935924
(1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol
CID 64519994
3-[2-chloro-N-cyclobutyl-4-(propylaminomethyl)anilino]propan-1-ol
CID 102864703

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol?
The IUPAC name of 2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol (CID 102863479) is 2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol.
What is the SMILES notation for 2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol?
The canonical SMILES for 2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol is CNC(C)c1ccc(N(CCO)C2CCC2)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol?
The InChIKey is XSHADIHITCPQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(17-2)12-6-7-15(14(16)10-12)18(8-9-19)13-4-3-5-13/h6-7,10-11,13,17,19H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol?
2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol has a molecular weight of 282.81 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol is sourced from PubChem (CID 102863479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).