N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine

C14H18ClNO — CID 66896178

IUPACN-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine
SMILESCOCC=Cc1cc(Cl)cc(CNC2CC2)c1
InChIInChI=1S/C14H18ClNO/c1-17-6-2-3-11-7-12(9-13(15)8-11)10-16-14-4-5-14/h2-3,7-9,14,16H,4-6,10H2,1H3
InChIKeyBRMIMMQPJVJVOL-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.25
Rot. Bonds6

About N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine

N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine (PubChem CID 66896178) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine
PubChem CID66896178
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC NameN-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine
SMILESCOCC=Cc1cc(Cl)cc(CNC2CC2)c1
InChIInChI=1S/C14H18ClNO/c1-17-6-2-3-11-7-12(9-13(15)8-11)10-16-14-4-5-14/h2-3,7-9,14,16H,4-6,10H2,1H3
InChIKeyBRMIMMQPJVJVOL-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60790274
N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine
CID 130727776
N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63456354
N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 51138205
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114452769
N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine
CID 79346844
1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene
CID 14044887
1-[4-[(3-chloro-5-fluorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 114452598
N-[[4-[(E)-but-2-enoxy]-3-chloro-5-methoxyphenyl]methyl]cyclopropanamine
CID 60878931
N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine
CID 60878743
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine (CID 66896178) is N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine is COCC=Cc1cc(Cl)cc(CNC2CC2)c1.
What is the InChIKey of N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine?
The InChIKey is BRMIMMQPJVJVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-17-6-2-3-11-7-12(9-13(15)8-11)10-16-14-4-5-14/h2-3,7-9,14,16H,4-6,10H2,1H3.
What are the key properties of N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine?
N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine has a molecular weight of 251.76 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66896178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).