3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol

C15H21Cl2NO — CID 114629197

IUPAC3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCCC(NC1CC(O)C1(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-4-12(10-6-5-9(16)7-11(10)17)18-13-8-14(19)15(13,2)3/h5-7,12-14,18-19H,4,8H2,1-3H3
InChIKeyFSVZPFBKZUZIKL-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.19
Rot. Bonds4

About 3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol

3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114629197) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114629197
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCCC(NC1CC(O)C1(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-4-12(10-6-5-9(16)7-11(10)17)18-13-8-14(19)15(13,2)3/h5-7,12-14,18-19H,4,8H2,1-3H3
InChIKeyFSVZPFBKZUZIKL-UHFFFAOYSA-N
XLogP4.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
CID 43503316
N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine
CID 63463585
2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
CID 43503458
N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine
CID 103907260
N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine
CID 81342935
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol
CID 65105429
N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 83006822
N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine
CID 43503451
3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one
CID 62093760
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
3-(2-amino-5-chloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628781

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol (CID 114629197) is 3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol is CCC(NC1CC(O)C1(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is FSVZPFBKZUZIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-4-12(10-6-5-9(16)7-11(10)17)18-13-8-14(19)15(13,2)3/h5-7,12-14,18-19H,4,8H2,1-3H3.
What are the key properties of 3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol?
3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 302.25 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114629197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).