N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine

C13H17ClF2N2 — CID 169245500

IUPACN'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1cccc(Cl)c1F)CC1(F)CC1
InChIInChI=1S/C13H17ClF2N2/c14-11-3-1-2-10(12(11)15)8-18(7-6-17)9-13(16)4-5-13/h1-3H,4-9,17H2
InChIKeyHMVWANKTRLPULR-UHFFFAOYSA-N
MW274.74 g/mol
LogP2.74
Rot. Bonds6

About N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine

N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine (PubChem CID 169245500) has the molecular formula C13H17ClF2N2 and a molecular weight of 274.74 g/mol. Its IUPAC name is N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine
PubChem CID169245500
Molecular FormulaC13H17ClF2N2
Molecular Weight274.74 g/mol
Exact Mass274.10
IUPAC NameN'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1cccc(Cl)c1F)CC1(F)CC1
InChIInChI=1S/C13H17ClF2N2/c14-11-3-1-2-10(12(11)15)8-18(7-6-17)9-13(16)4-5-13/h1-3H,4-9,17H2
InChIKeyHMVWANKTRLPULR-UHFFFAOYSA-N
XLogP2.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.74
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 169245512
N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
CID 62922224
2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol
CID 103881517
4-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 102864805
3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 102848141
(E)-5-(3-chloro-2-fluorophenyl)pent-3-en-1-amine
CID 102864119
1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone
CID 102865265
4-[[(3-chloro-2-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 102856212
N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 107951116
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine (CID 169245500) is N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine is NCCN(Cc1cccc(Cl)c1F)CC1(F)CC1.
What is the InChIKey of N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine?
The InChIKey is HMVWANKTRLPULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF2N2/c14-11-3-1-2-10(12(11)15)8-18(7-6-17)9-13(16)4-5-13/h1-3H,4-9,17H2.
What are the key properties of N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine?
N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine has a molecular weight of 274.74 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 169245500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).