N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine

C16H20ClN3 — CID 114854661

IUPACN-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCCc1nccn1-c1cc(Cl)ccc1CNC1CC1
InChIInChI=1S/C16H20ClN3/c1-2-3-16-18-8-9-20(16)15-10-13(17)5-4-12(15)11-19-14-6-7-14/h4-5,8-10,14,19H,2-3,6-7,11H2,1H3
InChIKeyOXDUKMBORUYSND-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.73
Rot. Bonds6

About N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine

N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 114854661) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID114854661
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCCc1nccn1-c1cc(Cl)ccc1CNC1CC1
InChIInChI=1S/C16H20ClN3/c1-2-3-16-18-8-9-20(16)15-10-13(17)5-4-12(15)11-19-14-6-7-14/h4-5,8-10,14,19H,2-3,6-7,11H2,1H3
InChIKeyOXDUKMBORUYSND-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methanol
CID 114845946
N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 61405500
N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854553
N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine
CID 114854335
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62223052
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 114854126
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81145297
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 24715477
N-[[6-methyl-4-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81253130
(E)-3-[5-chloro-2-(2-propylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 114858791
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine
CID 79739257

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine (CID 114854661) is N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine is CCCc1nccn1-c1cc(Cl)ccc1CNC1CC1.
What is the InChIKey of N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is OXDUKMBORUYSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-2-3-16-18-8-9-20(16)15-10-13(17)5-4-12(15)11-19-14-6-7-14/h4-5,8-10,14,19H,2-3,6-7,11H2,1H3.
What are the key properties of N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 289.81 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114854661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).