1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C16H24Cl2N2 — CID 105415724

IUPAC1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCCC(NCC1(N(C)C)CCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-4-15(13-7-6-12(17)10-14(13)18)19-11-16(20(2)3)8-5-9-16/h6-7,10,15,19H,4-5,8-9,11H2,1-3H3
InChIKeyTXSAHBKAJBHKDE-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.52
Rot. Bonds6

About 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105415724) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105415724
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCCC(NCC1(N(C)C)CCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-4-15(13-7-6-12(17)10-14(13)18)19-11-16(20(2)3)8-5-9-16/h6-7,10,15,19H,4-5,8-9,11H2,1-3H3
InChIKeyTXSAHBKAJBHKDE-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107544
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol
CID 65105429
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415794
1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415705
N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43503297
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 63454562
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 63454306
1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine
CID 107094120
3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide
CID 60926174
1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904377
4-[1-[[1-(dimethylamino)cyclopentyl]methylamino]propyl]phenol
CID 83116508

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105415724) is 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CCC(NCC1(N(C)C)CCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is TXSAHBKAJBHKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-4-15(13-7-6-12(17)10-14(13)18)19-11-16(20(2)3)8-5-9-16/h6-7,10,15,19H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 315.29 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105415724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).