N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine

C14H20F2N2 — CID 43270167

IUPACN-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2/c1-2-7-18(11-4-5-11)14(9-17)10-3-6-12(15)13(16)8-10/h3,6,8,11,14H,2,4-5,7,9,17H2,1H3
InChIKeyXVCRVYOAMOYSEY-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.84
Rot. Bonds6

About N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine

N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine (PubChem CID 43270167) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine
PubChem CID43270167
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2/c1-2-7-18(11-4-5-11)14(9-17)10-3-6-12(15)13(16)8-10/h3,6,8,11,14H,2,4-5,7,9,17H2,1H3
InChIKeyXVCRVYOAMOYSEY-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isopropylbenzylamine
CID 66024
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
1-(3-Fluorobenzyl)piperazine
CID 903813
1-(4-Fluorobenzyl)piperazine
CID 796563
1-Methyl-3-phenylpiperazine
CID 2760009
1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
CID 66029
N-Benzylethylenediamine
CID 77801
N-Methyl-1-phenylethylamine
CID 577403
N-Butyl-alpha-methylbenzenemethanamine
CID 21518
N,N'-Bis(1-phenylethyl)diaminoethane
CID 22679
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
Cyclopentyl-(1-phenyl-ethyl)-amine
CID 427071

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine (CID 43270167) is N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine is CCCN(C1CC1)C(CN)c1ccc(F)c(F)c1.
What is the InChIKey of N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine?
The InChIKey is XVCRVYOAMOYSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-2-7-18(11-4-5-11)14(9-17)10-3-6-12(15)13(16)8-10/h3,6,8,11,14H,2,4-5,7,9,17H2,1H3.
What are the key properties of N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine?
N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine has a molecular weight of 254.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 43270167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).