1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine

C14H20BrFN2 — CID 43270201

IUPAC1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)c1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2/c1-2-7-18(11-4-5-11)14(9-17)12-6-3-10(15)8-13(12)16/h3,6,8,11,14H,2,4-5,7,9,17H2,1H3
InChIKeyWFMYAARZWPDTME-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.46
Rot. Bonds6

About 1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine

1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine (PubChem CID 43270201) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine
PubChem CID43270201
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)c1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2/c1-2-7-18(11-4-5-11)14(9-17)12-6-3-10(15)8-13(12)16/h3,6,8,11,14H,2,4-5,7,9,17H2,1H3
InChIKeyWFMYAARZWPDTME-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 43270167
1-(5-bromo-2-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 43540902
1-(4-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine
CID 54883966
1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 61440999
1-(4-bromo-2-fluorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
CID 63694470
1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine
CID 43272757
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine
CID 43753483
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545332
1-(4-bromo-2-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
CID 43648660
1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273506
1-(4-bromo-2-fluorophenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81059193
N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine
CID 43270179

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine (CID 43270201) is 1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine is CCCN(C1CC1)C(CN)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine?
The InChIKey is WFMYAARZWPDTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-2-7-18(11-4-5-11)14(9-17)12-6-3-10(15)8-13(12)16/h3,6,8,11,14H,2,4-5,7,9,17H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine?
1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine has a molecular weight of 315.23 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 43270201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).