2,6-dichloro-N-(cyclopropylmethyl)aniline

C10H11Cl2N — CID 13174436

IUPAC2,6-dichloro-N-(cyclopropylmethyl)aniline
SMILESClc1cccc(Cl)c1NCC1CC1
InChIInChI=1S/C10H11Cl2N/c11-8-2-1-3-9(12)10(8)13-6-7-4-5-7/h1-3,7,13H,4-6H2
InChIKeyRGJRUSMZHLEKSQ-UHFFFAOYSA-N
MW216.11 g/mol
LogP3.82
Rot. Bonds3

About 2,6-dichloro-N-(cyclopropylmethyl)aniline

2,6-dichloro-N-(cyclopropylmethyl)aniline (PubChem CID 13174436) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 2,6-dichloro-N-(cyclopropylmethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(cyclopropylmethyl)aniline
PubChem CID13174436
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name2,6-dichloro-N-(cyclopropylmethyl)aniline
SMILESClc1cccc(Cl)c1NCC1CC1
InChIInChI=1S/C10H11Cl2N/c11-8-2-1-3-9(12)10(8)13-6-7-4-5-7/h1-3,7,13H,4-6H2
InChIKeyRGJRUSMZHLEKSQ-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol
CID 106120080
2-chloro-6-methyl-N-(oxan-4-ylmethyl)aniline
CID 66253970
2,6-dichloro-N-(oxan-3-ylmethyl)aniline
CID 65469527
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
(1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine
CID 142361154
2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline
CID 107132202
2-chloro-N-(cyclopentylmethyl)aniline
CID 61344994
3-chloro-1-N-[(4-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 113458634
3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
CID 104834099
3-chloro-1-N-(cyclohexylmethyl)benzene-1,2-diamine
CID 104834104
1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol
CID 103157934
4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride
CID 53249942

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(cyclopropylmethyl)aniline?
The IUPAC name of 2,6-dichloro-N-(cyclopropylmethyl)aniline (CID 13174436) is 2,6-dichloro-N-(cyclopropylmethyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(cyclopropylmethyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(cyclopropylmethyl)aniline is Clc1cccc(Cl)c1NCC1CC1.
What is the InChIKey of 2,6-dichloro-N-(cyclopropylmethyl)aniline?
The InChIKey is RGJRUSMZHLEKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c11-8-2-1-3-9(12)10(8)13-6-7-4-5-7/h1-3,7,13H,4-6H2.
What are the key properties of 2,6-dichloro-N-(cyclopropylmethyl)aniline?
2,6-dichloro-N-(cyclopropylmethyl)aniline has a molecular weight of 216.11 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(cyclopropylmethyl)aniline is sourced from PubChem (CID 13174436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).