[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine

C14H20FN — CID 117316889

IUPAC[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
SMILESCC(C)(F)Cc1cccc(C2(CN)CC2)c1
InChIInChI=1S/C14H20FN/c1-13(2,15)9-11-4-3-5-12(8-11)14(10-16)6-7-14/h3-5,8H,6-7,9-10,16H2,1-2H3
InChIKeyNACBGZRDWVDWLJ-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.97
Rot. Bonds4

About [1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine

[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine (PubChem CID 117316889) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is [1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
PubChem CID117316889
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
SMILESCC(C)(F)Cc1cccc(C2(CN)CC2)c1
InChIInChI=1S/C14H20FN/c1-13(2,15)9-11-4-3-5-12(8-11)14(10-16)6-7-14/h3-5,8H,6-7,9-10,16H2,1-2H3
InChIKeyNACBGZRDWVDWLJ-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-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
CID 117113390
1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine
CID 117343526
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 116992722
[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine
CID 116993044
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117310036
1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine
CID 84666435
1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine
CID 117396413
2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol
CID 117113422
4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline
CID 116996675

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine (CID 117316889) is [1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine is CC(C)(F)Cc1cccc(C2(CN)CC2)c1.
What is the InChIKey of [1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine?
The InChIKey is NACBGZRDWVDWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-13(2,15)9-11-4-3-5-12(8-11)14(10-16)6-7-14/h3-5,8H,6-7,9-10,16H2,1-2H3.
What are the key properties of [1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine?
[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine 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-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117316889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).