3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine

C14H17F2N — CID 134365408

IUPAC3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine
SMILESNC1CC(C[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H17F2N/c15-13-2-1-9(7-14(13)16)12-6-10(12)3-8-4-11(17)5-8/h1-2,7-8,10-12H,3-6,17H2/t8?,10-,11?,12+/m0/s1
InChIKeyYYSPGCXAYHYQNF-LCRAYJKBSA-N
MW237.29 g/mol
LogP3.20
Rot. Bonds3

About 3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine

3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine (PubChem CID 134365408) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine
PubChem CID134365408
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine
SMILESNC1CC(C[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H17F2N/c15-13-2-1-9(7-14(13)16)12-6-10(12)3-8-4-11(17)5-8/h1-2,7-8,10-12H,3-6,17H2/t8?,10-,11?,12+/m0/s1
InChIKeyYYSPGCXAYHYQNF-LCRAYJKBSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
CID 94556780
trans-(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
CID 154925657
1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558228
3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine
CID 81414919
1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine
CID 134359515
[2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 62704549
1-[2-(3,4-difluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031851
(1R)-2-(4-fluoro-3-methylphenyl)cyclopropan-1-amine
CID 70211695
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine
CID 141470571
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742
4-[2-(bromomethyl)cyclopropyl]-2-chloro-1-fluorobenzene
CID 81351147

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine (CID 134365408) is 3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine is NC1CC(C[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine?
The InChIKey is YYSPGCXAYHYQNF-LCRAYJKBSA-N. The full InChI is InChI=1S/C14H17F2N/c15-13-2-1-9(7-14(13)16)12-6-10(12)3-8-4-11(17)5-8/h1-2,7-8,10-12H,3-6,17H2/t8?,10-,11?,12+/m0/s1.
What are the key properties of 3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine?
3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine has a molecular weight of 237.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 134365408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).