2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine

C14H18ClF3N2 — CID 116699227

IUPAC2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine
SMILESCC1(C(C)(CN)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18ClF3N2/c1-12(3-4-12)13(2,8-19)20-11-6-9(14(16,17)18)5-10(15)7-11/h5-7,20H,3-4,8,19H2,1-2H3
InChIKeyHMQZFZVJDVDBDH-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.29
Rot. Bonds4

About 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine

2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine (PubChem CID 116699227) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine
PubChem CID116699227
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC Name2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine
SMILESCC1(C(C)(CN)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18ClF3N2/c1-12(3-4-12)13(2,8-19)20-11-6-9(14(16,17)18)5-10(15)7-11/h5-7,20H,3-4,8,19H2,1-2H3
InChIKeyHMQZFZVJDVDBDH-UHFFFAOYSA-N
XLogP4.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine?
The IUPAC name of 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine (CID 116699227) is 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine is CC1(C(C)(CN)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine?
The InChIKey is HMQZFZVJDVDBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c1-12(3-4-12)13(2,8-19)20-11-6-9(14(16,17)18)5-10(15)7-11/h5-7,20H,3-4,8,19H2,1-2H3.
What are the key properties of 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine?
2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine has a molecular weight of 306.76 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine is sourced from PubChem (CID 116699227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).