N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine

C12H14BrF3N2 — CID 113326006

IUPACN-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine
SMILESNCC(Nc1ccc(C(F)(F)F)cc1Br)C1CC1
InChIInChI=1S/C12H14BrF3N2/c13-9-5-8(12(14,15)16)3-4-10(9)18-11(6-17)7-1-2-7/h3-5,7,11,18H,1-2,6,17H2
InChIKeyNABYYTUVZGHFRH-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.62
Rot. Bonds4

About N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine

N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine (PubChem CID 113326006) has the molecular formula C12H14BrF3N2 and a molecular weight of 323.16 g/mol. Its IUPAC name is N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine
PubChem CID113326006
Molecular FormulaC12H14BrF3N2
Molecular Weight323.16 g/mol
Exact Mass322.03
IUPAC NameN-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine
SMILESNCC(Nc1ccc(C(F)(F)F)cc1Br)C1CC1
InChIInChI=1S/C12H14BrF3N2/c13-9-5-8(12(14,15)16)3-4-10(9)18-11(6-17)7-1-2-7/h3-5,7,11,18H,1-2,6,17H2
InChIKeyNABYYTUVZGHFRH-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107303892
4-[(2-amino-1-cyclopropylethyl)amino]-3-bromobenzonitrile
CID 82808861
2-N-[2-bromo-4-(trifluoromethyl)phenyl]butane-1,2-diamine
CID 115511929
2-N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylpentane-1,2-diamine
CID 115511911
N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
CID 65385964
2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline
CID 113325985
1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164
2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine
CID 115512206
1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63406082
2-[2-bromo-4-(trifluoromethyl)anilino]-3-methylbutan-1-ol
CID 115511777
2-bromo-N-(1-chloro-3-methylbutan-2-yl)-4-(trifluoromethyl)aniline
CID 115512308
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine?
The IUPAC name of N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine (CID 113326006) is N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine?
The canonical SMILES for N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine is NCC(Nc1ccc(C(F)(F)F)cc1Br)C1CC1.
What is the InChIKey of N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine?
The InChIKey is NABYYTUVZGHFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2/c13-9-5-8(12(14,15)16)3-4-10(9)18-11(6-17)7-1-2-7/h3-5,7,11,18H,1-2,6,17H2.
What are the key properties of N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine?
N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine has a molecular weight of 323.16 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 113326006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).