N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine

C17H17ClFN — CID 83069385

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine
SMILESCC(NC1CC1c1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H17ClFN/c1-11(13-7-8-15(18)16(19)9-13)20-17-10-14(17)12-5-3-2-4-6-12/h2-9,11,14,17,20H,10H2,1H3
InChIKeyHNVUQPTZCVXJBO-UHFFFAOYSA-N
MW289.78 g/mol
LogP4.69
Rot. Bonds4

About N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine (PubChem CID 83069385) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine
PubChem CID83069385
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine
SMILESCC(NC1CC1c1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H17ClFN/c1-11(13-7-8-15(18)16(19)9-13)20-17-10-14(17)12-5-3-2-4-6-12/h2-9,11,14,17,20H,10H2,1H3
InChIKeyHNVUQPTZCVXJBO-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849957
4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine
CID 83068982
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 83059762
1-[1-(3,4-difluorophenyl)ethyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111324347
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83057984
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 82991599
cis-(1S,2S)-2-phenyl-N-[(2S,3R)-3-phenylbutan-2-yl]cyclopropan-1-amine
CID 124886159
1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115879137
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 83069531
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid
CID 83058705

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine (CID 83069385) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine is CC(NC1CC1c1ccccc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine?
The InChIKey is HNVUQPTZCVXJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-11(13-7-8-15(18)16(19)9-13)20-17-10-14(17)12-5-3-2-4-6-12/h2-9,11,14,17,20H,10H2,1H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine has a molecular weight of 289.78 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 83069385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).