1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine

C14H20FN — CID 106882484

IUPAC1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(CCC(N)C2CC2)c(F)c1
InChIInChI=1S/C14H20FN/c1-9-7-10(2)12(13(15)8-9)5-6-14(16)11-3-4-11/h7-8,11,14H,3-6,16H2,1-2H3
InChIKeyNFWHSVXBHALUPJ-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.11
Rot. Bonds4

About 1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine

1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine (PubChem CID 106882484) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
PubChem CID106882484
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(CCC(N)C2CC2)c(F)c1
InChIInChI=1S/C14H20FN/c1-9-7-10(2)12(13(15)8-9)5-6-14(16)11-3-4-11/h7-8,11,14H,3-6,16H2,1-2H3
InChIKeyNFWHSVXBHALUPJ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dimethylbenzeneethanamine
CID 211415
5-Adpi
CID 192600
2-(4-Tert-butyl-2,6-dimethylphenyl)ethan-1-amine
CID 2574642
2,5-Dimethylamphetamine
CID 115412
trans-2-Fluoro-2-phenylcyclopropylamin
CID 10374615
6-(2-Aminopropyl)tetralin
CID 14964398
cis-2-Fluoro-2-(p-fluorophenyl)cyclopropylamine
CID 25147553
(2-Fluoro-2-phenylcyclopropyl)methanamine
CID 44296122
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572809
3-(2,4-Dimethylphenyl)propan-1-amine
CID 4962541
1-(3,4-Dimethylphenyl)ethan-1-amine
CID 5086468
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine
CID 9834068

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine (CID 106882484) is 1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine is Cc1cc(C)c(CCC(N)C2CC2)c(F)c1.
What is the InChIKey of 1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine?
The InChIKey is NFWHSVXBHALUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-9-7-10(2)12(13(15)8-9)5-6-14(16)11-3-4-11/h7-8,11,14H,3-6,16H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine?
1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 106882484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).