1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine

C17H26ClN3 — CID 142057885

IUPAC1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine
SMILESCC1=C(C2CC2(C)C)NC(N)N1.CCc1cccc(Cl)c1
InChIInChI=1S/C9H17N3.C8H9Cl/c1-5-7(12-8(10)11-5)6-4-9(6,2)3;1-2-7-4-3-5-8(9)6-7/h6,8,11-12H,4,10H2,1-3H3;3-6H,2H2,1H3
InChIKeyIHCFHDFZACTBDK-UHFFFAOYSA-N
MW307.87 g/mol
LogP3.60
Rot. Bonds2

About 1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine

1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine (PubChem CID 142057885) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine
PubChem CID142057885
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine
SMILESCC1=C(C2CC2(C)C)NC(N)N1.CCc1cccc(Cl)c1
InChIInChI=1S/C9H17N3.C8H9Cl/c1-5-7(12-8(10)11-5)6-4-9(6,2)3;1-2-7-4-3-5-8(9)6-7/h6,8,11-12H,4,10H2,1-3H3;3-6H,2H2,1H3
InChIKeyIHCFHDFZACTBDK-UHFFFAOYSA-N
XLogP3.60
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene
CID 142058084
3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538936
1-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-3-chlorobenzene
CID 107003146
3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine
CID 83823135
3-(3-ethylphenyl)-3-methylcyclopentan-1-amine
CID 116538959
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one
CID 120818145
2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65411591
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646
(S)-cyclopropyl-(3-ethylphenyl)methanamine
CID 131196510
2-[(3-chlorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401361
3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
CID 65174897
3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 142422934

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine?
The IUPAC name of 1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine (CID 142057885) is 1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine is CC1=C(C2CC2(C)C)NC(N)N1.CCc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine?
The InChIKey is IHCFHDFZACTBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.C8H9Cl/c1-5-7(12-8(10)11-5)6-4-9(6,2)3;1-2-7-4-3-5-8(9)6-7/h6,8,11-12H,4,10H2,1-3H3;3-6H,2H2,1H3.
What are the key properties of 1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine?
1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine has a molecular weight of 307.87 g/mol, XLogP of 3.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethylbenzene;4-(2,2-dimethylcyclopropyl)-5-methyl-2,3-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 142057885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).