1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine

C14H18ClF2N — CID 104994770

IUPAC1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CC1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H18ClF2N/c1-2-18-14(6-5-9-3-4-9)10-7-13(17)11(15)8-12(10)16/h7-9,14,18H,2-6H2,1H3
InChIKeyBCSGMPHETAZKQV-UHFFFAOYSA-N
MW273.75 g/mol
LogP4.46
Rot. Bonds6

About 1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine

1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine (PubChem CID 104994770) has the molecular formula C14H18ClF2N and a molecular weight of 273.75 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine
PubChem CID104994770
Molecular FormulaC14H18ClF2N
Molecular Weight273.75 g/mol
Exact Mass273.11
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CC1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H18ClF2N/c1-2-18-14(6-5-9-3-4-9)10-7-13(17)11(15)8-12(10)16/h7-9,14,18H,2-6H2,1H3
InChIKeyBCSGMPHETAZKQV-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-N-ethylhexan-1-amine
CID 115837042
1-(4-chloro-2,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023875
1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105022589
1-(4-chloro-2,5-difluorophenyl)-N-ethylhex-4-yn-1-amine
CID 105037119
3-cyclopropyl-N-ethyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 104994836
1-(4-chloro-2,5-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854210
1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine
CID 115833076
3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79780406
3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561458
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302742
1-(4-bromo-5-chloro-2-fluorophenyl)-N-ethylbutan-1-amine
CID 105398979
3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 104995042

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine (CID 104994770) is 1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine is CCNC(CCC1CC1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine?
The InChIKey is BCSGMPHETAZKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N/c1-2-18-14(6-5-9-3-4-9)10-7-13(17)11(15)8-12(10)16/h7-9,14,18H,2-6H2,1H3.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine?
1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine has a molecular weight of 273.75 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine is sourced from PubChem (CID 104994770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).