3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine

C16H24ClN — CID 81422325

IUPAC3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1C(C)C(c2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C16H24ClN/c1-5-9-18-15-11(2)14(16(15,3)4)12-7-6-8-13(17)10-12/h6-8,10-11,14-15,18H,5,9H2,1-4H3
InChIKeyFMMDAUMWMZGWGW-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.47
Rot. Bonds4

About 3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine

3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine (PubChem CID 81422325) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine
PubChem CID81422325
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1C(C)C(c2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C16H24ClN/c1-5-9-18-15-11(2)14(16(15,3)4)12-7-6-8-13(17)10-12/h6-8,10-11,14-15,18H,5,9H2,1-4H3
InChIKeyFMMDAUMWMZGWGW-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine
CID 81421942
1-[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]propan-1-one
CID 20778842
N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine
CID 114229873
N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 114229819
trans-(1R,3R)-3-(3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 11481517
(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
CID 30122314
N-[[2-(3-chlorophenyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81030568
butane;1,3-dichlorobenzene
CID 174455068
[2-(3-chlorophenyl)-3-ethylsulfonyl-1-(methoxymethyl)cyclopropyl]methanamine
CID 102570390
(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
CID 175871600
[2-(3-chlorophenyl)-1-(ethoxymethyl)-3-ethylsulfonylcyclopropyl]methanamine
CID 102570451
3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine
CID 81423039

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine (CID 81422325) is 3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine is CCCNC1C(C)C(c2cccc(Cl)c2)C1(C)C.
What is the InChIKey of 3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine?
The InChIKey is FMMDAUMWMZGWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-5-9-18-15-11(2)14(16(15,3)4)12-7-6-8-13(17)10-12/h6-8,10-11,14-15,18H,5,9H2,1-4H3.
What are the key properties of 3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine?
3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81422325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).