1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine

C14H18FN — CID 117312921

IUPAC1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(C3CC3)c(F)c2)CC1
InChIInChI=1S/C14H18FN/c1-9(16)14(6-7-14)11-4-5-12(10-2-3-10)13(15)8-11/h4-5,8-10H,2-3,6-7,16H2,1H3
InChIKeySXTTWBQBVJCCNW-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.08
Rot. Bonds3

About 1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine

1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine (PubChem CID 117312921) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine
PubChem CID117312921
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(C3CC3)c(F)c2)CC1
InChIInChI=1S/C14H18FN/c1-9(16)14(6-7-14)11-4-5-12(10-2-3-10)13(15)8-11/h4-5,8-10H,2-3,6-7,16H2,1H3
InChIKeySXTTWBQBVJCCNW-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
CID 117046693
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline
CID 117118391
1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine
CID 117377665
1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117436696
1-[1-(4-cyclopropylphenyl)cyclopentyl]ethanamine
CID 117047052
1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117301569
5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117293738
1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117317155
1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine
CID 117367826

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine (CID 117312921) is 1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine is CC(N)C1(c2ccc(C3CC3)c(F)c2)CC1.
What is the InChIKey of 1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine?
The InChIKey is SXTTWBQBVJCCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-9(16)14(6-7-14)11-4-5-12(10-2-3-10)13(15)8-11/h4-5,8-10H,2-3,6-7,16H2,1H3.
What are the key properties of 1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine?
1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine has a molecular weight of 219.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117312921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).