N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine

C14H17Cl2NO2 — CID 60878743

IUPACN-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)cc(Cl)c1OC/C=C/Cl
InChIInChI=1S/C14H17Cl2NO2/c1-18-13-8-10(9-17-11-3-4-11)7-12(16)14(13)19-6-2-5-15/h2,5,7-8,11,17H,3-4,6,9H2,1H3/b5-2+
InChIKeyJMJPRJPTHIIAIB-GORDUTHDSA-N
MW302.20 g/mol
LogP3.73
Rot. Bonds7

About N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine

N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine (PubChem CID 60878743) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine
PubChem CID60878743
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC NameN-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)cc(Cl)c1OC/C=C/Cl
InChIInChI=1S/C14H17Cl2NO2/c1-18-13-8-10(9-17-11-3-4-11)7-12(16)14(13)19-6-2-5-15/h2,5,7-8,11,17H,3-4,6,9H2,1H3/b5-2+
InChIKeyJMJPRJPTHIIAIB-GORDUTHDSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(E)-but-2-enoxy]-3-chloro-5-methoxyphenyl]methyl]cyclopropanamine
CID 60878931
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 51138205
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43223600
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17295387
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081610
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 4720875
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 6471617
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 4721628

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine (CID 60878743) is N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine is COc1cc(CNC2CC2)cc(Cl)c1OC/C=C/Cl.
What is the InChIKey of N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine?
The InChIKey is JMJPRJPTHIIAIB-GORDUTHDSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-18-13-8-10(9-17-11-3-4-11)7-12(16)14(13)19-6-2-5-15/h2,5,7-8,11,17H,3-4,6,9H2,1H3/b5-2+.
What are the key properties of N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine?
N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine has a molecular weight of 302.20 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 60878743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).