N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine

C14H17F2NO2 — CID 79346738

IUPACN-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine
SMILESCOc1ccc(C=CCNC2CC2)cc1OC(F)F
InChIInChI=1S/C14H17F2NO2/c1-18-12-7-4-10(9-13(12)19-14(15)16)3-2-8-17-11-5-6-11/h2-4,7,9,11,14,17H,5-6,8H2,1H3
InChIKeyKAYYKADLHORJCR-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.06
Rot. Bonds7

About N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine

N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine (PubChem CID 79346738) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine
PubChem CID79346738
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC NameN-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine
SMILESCOc1ccc(C=CCNC2CC2)cc1OC(F)F
InChIInChI=1S/C14H17F2NO2/c1-18-12-7-4-10(9-13(12)19-14(15)16)3-2-8-17-11-5-6-11/h2-4,7,9,11,14,17H,5-6,8H2,1H3
InChIKeyKAYYKADLHORJCR-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine
CID 79347286
4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene
CID 79334494
(E)-4-[3-(difluoromethoxy)-4-methoxyphenyl]but-3-en-1-amine
CID 63970735
4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine
CID 76996810
N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide
CID 9352689
N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine
CID 79347726
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylprop-2-enoic acid
CID 79727135
N-[3-(4-propan-2-ylphenyl)prop-2-enyl]cyclopropanamine
CID 79348162
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 7199115
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344074
3-(3,4-dimethoxyphenyl)prop-2-enylthiourea
CID 173413865

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine (CID 79346738) is N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine is COc1ccc(C=CCNC2CC2)cc1OC(F)F.
What is the InChIKey of N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine?
The InChIKey is KAYYKADLHORJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-18-12-7-4-10(9-13(12)19-14(15)16)3-2-8-17-11-5-6-11/h2-4,7,9,11,14,17H,5-6,8H2,1H3.
What are the key properties of N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine?
N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine has a molecular weight of 269.29 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79346738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).