N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline

C15H23ClN2 — CID 114847398

IUPACN-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
SMILESCCCCN(C)c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C15H23ClN2/c1-3-4-9-18(2)15-8-5-13(16)10-12(15)11-17-14-6-7-14/h5,8,10,14,17H,3-4,6-7,9,11H2,1-2H3
InChIKeyMKLRDZCXKDMCLH-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.83
Rot. Bonds7

About N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline

N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline (PubChem CID 114847398) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
PubChem CID114847398
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
SMILESCCCCN(C)c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C15H23ClN2/c1-3-4-9-18(2)15-8-5-13(16)10-12(15)11-17-14-6-7-14/h5,8,10,14,17H,3-4,6-7,9,11H2,1-2H3
InChIKeyMKLRDZCXKDMCLH-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
CID 107201198
N'-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 114850409
4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848346
N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline
CID 62120655
N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847405
N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63700949
4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline
CID 114848806
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 114852410
4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline
CID 114850525
N-butyl-5-chloro-2-(chloromethyl)-N-methylaniline
CID 114846304
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline?
The IUPAC name of N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline (CID 114847398) is N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline.
What is the SMILES notation for N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline?
The canonical SMILES for N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline is CCCCN(C)c1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline?
The InChIKey is MKLRDZCXKDMCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-4-9-18(2)15-8-5-13(16)10-12(15)11-17-14-6-7-14/h5,8,10,14,17H,3-4,6-7,9,11H2,1-2H3.
What are the key properties of N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline?
N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline has a molecular weight of 266.82 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline is sourced from PubChem (CID 114847398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).