3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine

C15H21Cl2N — CID 150336913

IUPAC3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine
SMILESClCCCNCCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H21Cl2N/c16-10-2-11-18-12-9-15(7-1-8-15)13-3-5-14(17)6-4-13/h3-6,18H,1-2,7-12H2
InChIKeyGQWHHVLWPFSUKN-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.37
Rot. Bonds7

About 3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine

3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine (PubChem CID 150336913) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine
PubChem CID150336913
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine
SMILESClCCCNCCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H21Cl2N/c16-10-2-11-18-12-9-15(7-1-8-15)13-3-5-14(17)6-4-13/h3-6,18H,1-2,7-12H2
InChIKeyGQWHHVLWPFSUKN-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride
CID 69398314
3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine
CID 57115633
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
CID 91148792
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium
CID 140667657
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine
CID 110935297

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of 3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine (CID 150336913) is 3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for 3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for 3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine is ClCCCNCCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine?
The InChIKey is GQWHHVLWPFSUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c16-10-2-11-18-12-9-15(7-1-8-15)13-3-5-14(17)6-4-13/h3-6,18H,1-2,7-12H2.
What are the key properties of 3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine?
3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 150336913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).