N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine

C16H20ClN3O — CID 62737898

IUPACN-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCCn1ccnc1COc1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C16H20ClN3O/c1-2-20-8-7-18-16(20)11-21-15-6-3-12(9-14(15)17)10-19-13-4-5-13/h3,6-9,13,19H,2,4-5,10-11H2,1H3
InChIKeyHNPSCVPGJKRQKL-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.39
Rot. Bonds7

About N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine

N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 62737898) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID62737898
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCCn1ccnc1COc1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C16H20ClN3O/c1-2-20-8-7-18-16(20)11-21-15-6-3-12(9-14(15)17)10-19-13-4-5-13/h3,6-9,13,19H,2,4-5,10-11H2,1H3
InChIKeyHNPSCVPGJKRQKL-UHFFFAOYSA-N
XLogP3.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]benzaldehyde
CID 62406949
N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine
CID 65176295
N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62018191
N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158351
N-[[3-bromo-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63045360
N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 113382701
N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63974152
N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 64748077
N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine
CID 79739257
N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452280
N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62673446

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 62737898) is N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine is CCn1ccnc1COc1ccc(CNC2CC2)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is HNPSCVPGJKRQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-2-20-8-7-18-16(20)11-21-15-6-3-12(9-14(15)17)10-19-13-4-5-13/h3,6-9,13,19H,2,4-5,10-11H2,1H3.
What are the key properties of N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 305.81 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62737898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).