1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine

C12H18ClFN2 — CID 43271044

IUPAC1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C12H18ClFN2/c1-3-7-16(2)11(8-15)12-9(13)5-4-6-10(12)14/h4-6,11H,3,7-8,15H2,1-2H3
InChIKeyDELNLXRJQBJZQX-UHFFFAOYSA-N
MW244.74 g/mol
LogP2.82
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine

1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine (PubChem CID 43271044) has the molecular formula C12H18ClFN2 and a molecular weight of 244.74 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
PubChem CID43271044
Molecular FormulaC12H18ClFN2
Molecular Weight244.74 g/mol
Exact Mass244.11
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C12H18ClFN2/c1-3-7-16(2)11(8-15)12-9(13)5-4-6-10(12)14/h4-6,11H,3,7-8,15H2,1-2H3
InChIKeyDELNLXRJQBJZQX-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61414930
1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 16794999
1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43080648
1-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563267
1-(5-chloro-2-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 114842862
N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 43126039
1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431561
1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 63470631
1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948279
tert-butyl N-[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]-N-methylcarbamate
CID 82023515
1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002058
1-(2,6-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43110178

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine (CID 43271044) is 1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine is CCCN(C)C(CN)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine?
The InChIKey is DELNLXRJQBJZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2/c1-3-7-16(2)11(8-15)12-9(13)5-4-6-10(12)14/h4-6,11H,3,7-8,15H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine?
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine has a molecular weight of 244.74 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 43271044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).