N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine

C14H19NO2 — CID 79347286

IUPACN-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine
SMILESCOc1ccc(C=CCNC2CC2)cc1OC
InChIInChI=1S/C14H19NO2/c1-16-13-8-5-11(10-14(13)17-2)4-3-9-15-12-6-7-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3
InChIKeyFQDGAGIPBCPWCW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds6

About N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine

N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine (PubChem CID 79347286) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine
PubChem CID79347286
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine
SMILESCOc1ccc(C=CCNC2CC2)cc1OC
InChIInChI=1S/C14H19NO2/c1-16-13-8-5-11(10-14(13)17-2)4-3-9-15-12-6-7-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3
InChIKeyFQDGAGIPBCPWCW-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine
CID 79346738
3-(3,4-dimethoxyphenyl)prop-2-enylthiourea
CID 173413865
1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
CID 12892889
4-[(E)-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]disulfanyl]prop-1-enyl]-1,2-dimethoxybenzene
CID 122188364
(E)-4-(3,4-dimethoxyphenyl)but-3-enal
CID 87333792
N-[3-(4-propan-2-ylphenyl)prop-2-enyl]cyclopropanamine
CID 79348162
N-[(E)-3-(3-bromo-4-chlorophenyl)prop-2-enyl]cyclopropanamine
CID 83241851
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
CID 20833717
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
4-(3,4-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 79593408
2-(3,4-dimethoxyphenyl)-N-methylethenamine
CID 174355717
N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine
CID 79347726

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine (CID 79347286) is N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine is COc1ccc(C=CCNC2CC2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine?
The InChIKey is FQDGAGIPBCPWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-13-8-5-11(10-14(13)17-2)4-3-9-15-12-6-7-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3.
What are the key properties of N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine?
N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine has a molecular weight of 233.31 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79347286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).