3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol

C15H22ClNO2 — CID 102864101

IUPAC3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol
SMILESCC(O)c1ccc(N(CCCO)C2CCC2)cc1Cl
InChIInChI=1S/C15H22ClNO2/c1-11(19)14-7-6-13(10-15(14)16)17(8-3-9-18)12-4-2-5-12/h6-7,10-12,18-19H,2-5,8-9H2,1H3
InChIKeyDTDVEEWAOUOKHL-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.13
Rot. Bonds6

About 3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol

3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol (PubChem CID 102864101) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol.

Molecular Properties

Compound Name3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol
PubChem CID102864101
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol
SMILESCC(O)c1ccc(N(CCCO)C2CCC2)cc1Cl
InChIInChI=1S/C15H22ClNO2/c1-11(19)14-7-6-13(10-15(14)16)17(8-3-9-18)12-4-2-5-12/h6-7,10-12,18-19H,2-5,8-9H2,1H3
InChIKeyDTDVEEWAOUOKHL-UHFFFAOYSA-N
XLogP3.13
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.13
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

5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol
CID 102864148
1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol
CID 78992152
3-[cyclobutyl(3-hydroxypropyl)amino]-4-[(1S)-1-hydroxyethyl]benzonitrile
CID 102864207
1-[2-bromo-4-[butyl(cyclopropyl)amino]phenyl]ethanol
CID 114069706
2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
CID 102863464
2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
CID 55152420
3-[cyclobutyl-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864161
3-[2-bromo-N-cyclobutyl-4-[(1S)-1-hydroxyethyl]anilino]propan-1-ol
CID 102864100
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol
CID 62945689
3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864183
3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol
CID 102859413

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol?
The IUPAC name of 3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol (CID 102864101) is 3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol.
What is the SMILES notation for 3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol?
The canonical SMILES for 3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol is CC(O)c1ccc(N(CCCO)C2CCC2)cc1Cl.
What is the InChIKey of 3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol?
The InChIKey is DTDVEEWAOUOKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(19)14-7-6-13(10-15(14)16)17(8-3-9-18)12-4-2-5-12/h6-7,10-12,18-19H,2-5,8-9H2,1H3.
What are the key properties of 3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol?
3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol is sourced from PubChem (CID 102864101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).