N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine

C14H18ClNO2 — CID 79346844

IUPACN-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine
SMILESCOc1cc(C=CCNC2CC2)cc(Cl)c1OC
InChIInChI=1S/C14H18ClNO2/c1-17-13-9-10(8-12(15)14(13)18-2)4-3-7-16-11-5-6-11/h3-4,8-9,11,16H,5-7H2,1-2H3
InChIKeyUVEOTFQBPPJIHH-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.12
Rot. Bonds6

About N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine

N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine (PubChem CID 79346844) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine
PubChem CID79346844
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine
SMILESCOc1cc(C=CCNC2CC2)cc(Cl)c1OC
InChIInChI=1S/C14H18ClNO2/c1-17-13-9-10(8-12(15)14(13)18-2)4-3-7-16-11-5-6-11/h3-4,8-9,11,16H,5-7H2,1-2H3
InChIKeyUVEOTFQBPPJIHH-UHFFFAOYSA-N
XLogP3.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.12
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
N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine
CID 79346738
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79347670
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340867
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enenitrile
CID 76913713
N-[(E)-3-(3-bromo-4-chlorophenyl)prop-2-enyl]cyclopropanamine
CID 83241851
3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol
CID 79334314
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
(Z)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 2414113
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]prop-2-en-1-one
CID 122147966
ethyl 4-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542300

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine (CID 79346844) is N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine is COc1cc(C=CCNC2CC2)cc(Cl)c1OC.
What is the InChIKey of N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine?
The InChIKey is UVEOTFQBPPJIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-17-13-9-10(8-12(15)14(13)18-2)4-3-7-16-11-5-6-11/h3-4,8-9,11,16H,5-7H2,1-2H3.
What are the key properties of N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine?
N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine has a molecular weight of 267.76 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79346844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).