2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline

C15H24ClN3 — CID 105421348

IUPAC2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
SMILESCN(Cc1ccc(N)c(Cl)c1)CC1(N(C)C)CCC1
InChIInChI=1S/C15H24ClN3/c1-18(2)15(7-4-8-15)11-19(3)10-12-5-6-14(17)13(16)9-12/h5-6,9H,4,7-8,10-11,17H2,1-3H3
InChIKeyZATRCNMQYYVMCA-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.84
Rot. Bonds5

About 2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline

2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline (PubChem CID 105421348) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
PubChem CID105421348
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
SMILESCN(Cc1ccc(N)c(Cl)c1)CC1(N(C)C)CCC1
InChIInChI=1S/C15H24ClN3/c1-18(2)15(7-4-8-15)11-19(3)10-12-5-6-14(17)13(16)9-12/h5-6,9H,4,7-8,10-11,17H2,1-3H3
InChIKeyZATRCNMQYYVMCA-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105413427
1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421360
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridin-3-amine
CID 105421264
4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
CID 105413529
1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416319
3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105413736
3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
CID 105421343
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 43458300
1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 103054422
N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine
CID 105417787
1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 107113662

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline?
The IUPAC name of 2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline (CID 105421348) is 2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline.
What is the SMILES notation for 2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline?
The canonical SMILES for 2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline is CN(Cc1ccc(N)c(Cl)c1)CC1(N(C)C)CCC1.
What is the InChIKey of 2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline?
The InChIKey is ZATRCNMQYYVMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-18(2)15(7-4-8-15)11-19(3)10-12-5-6-14(17)13(16)9-12/h5-6,9H,4,7-8,10-11,17H2,1-3H3.
What are the key properties of 2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline?
2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline has a molecular weight of 281.83 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline is sourced from PubChem (CID 105421348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).