N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline

C12H16Cl2N2 — CID 115244039

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline
SMILESCN(CC1(CN)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2/c1-16(8-12(7-15)4-5-12)11-3-2-9(13)6-10(11)14/h2-3,6H,4-5,7-8,15H2,1H3
InChIKeyIBNPKTYHRHRGJL-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.17
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline

N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline (PubChem CID 115244039) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline
PubChem CID115244039
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline
SMILESCN(CC1(CN)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2/c1-16(8-12(7-15)4-5-12)11-3-2-9(13)6-10(11)14/h2-3,6H,4-5,7-8,15H2,1H3
InChIKeyIBNPKTYHRHRGJL-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243413
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline
CID 84789895
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-5-chloro-2-fluoro-N-methylaniline
CID 115249337
2-(2,4-dichloro-N-methylanilino)acetonitrile
CID 82113638
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115244001
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline
CID 84778072
1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200543
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline
CID 115243996
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
CID 65194915
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline
CID 115243941
3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline (CID 115244039) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline is CN(CC1(CN)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline?
The InChIKey is IBNPKTYHRHRGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-16(8-12(7-15)4-5-12)11-3-2-9(13)6-10(11)14/h2-3,6H,4-5,7-8,15H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline has a molecular weight of 259.18 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline is sourced from PubChem (CID 115244039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).