1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine

C14H20FN — CID 117316840

IUPAC1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine
SMILESCC(F)Cc1ccccc1C1(C(C)N)CC1
InChIInChI=1S/C14H20FN/c1-10(15)9-12-5-3-4-6-13(12)14(7-8-14)11(2)16/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyBBUPYYIOFIKKEQ-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.97
Rot. Bonds4

About 1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine

1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117316840) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine
PubChem CID117316840
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine
SMILESCC(F)Cc1ccccc1C1(C(C)N)CC1
InChIInChI=1S/C14H20FN/c1-10(15)9-12-5-3-4-6-13(12)14(7-8-14)11(2)16/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyBBUPYYIOFIKKEQ-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine
CID 117296596
1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine
CID 117360639
1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 117326824
1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine
CID 117330234
1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine
CID 117118334
1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117327900
1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
CID 117398469
1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine
CID 117347308
1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine
CID 117397248
2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline
CID 117118396
1-[1-(2-cyclohexylphenyl)cyclopropyl]ethanamine
CID 117360924
1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
CID 117388142

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine (CID 117316840) is 1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine is CC(F)Cc1ccccc1C1(C(C)N)CC1.
What is the InChIKey of 1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is BBUPYYIOFIKKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10(15)9-12-5-3-4-6-13(12)14(7-8-14)11(2)16/h3-6,10-11H,7-9,16H2,1-2H3.
What are the key properties of 1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine?
1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 221.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117316840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).