(E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine

C14H17F2NO — CID 66982673

IUPAC(E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)Cc1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C14H17F2NO/c15-7-12(8-17)5-11-3-4-14(13(16)6-11)18-9-10-1-2-10/h3-4,6-7,10H,1-2,5,8-9,17H2/b12-7+
InChIKeyTZWWYQBVWSPPDF-KPKJPENVSA-N
MW253.29 g/mol
LogP2.97
Rot. Bonds6

About (E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine

(E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 66982673) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is (E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine
PubChem CID66982673
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name(E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)Cc1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C14H17F2NO/c15-7-12(8-17)5-11-3-4-14(13(16)6-11)18-9-10-1-2-10/h3-4,6-7,10H,1-2,5,8-9,17H2/b12-7+
InChIKeyTZWWYQBVWSPPDF-KPKJPENVSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982653
2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine
CID 170886569
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
CID 107691255
[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol
CID 107690757
4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide
CID 43658073
1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene
CID 67791440
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
CID 117320100
1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
CID 107686421
4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine
CID 146589278
(Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 59029517
[3-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117412205

Frequently Asked Questions

What is the IUPAC name of (E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine (CID 66982673) is (E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine is NC/C(=C/F)Cc1ccc(OCC2CC2)c(F)c1.
What is the InChIKey of (E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is TZWWYQBVWSPPDF-KPKJPENVSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-7-12(8-17)5-11-3-4-14(13(16)6-11)18-9-10-1-2-10/h3-4,6-7,10H,1-2,5,8-9,17H2/b12-7+.
What are the key properties of (E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine?
(E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 253.29 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 66982673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).