2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine

C16H21N3 — CID 114529366

IUPAC2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESCn1ccnc1CCC1(N)CCc2ccccc2C1
InChIInChI=1S/C16H21N3/c1-19-11-10-18-15(19)7-9-16(17)8-6-13-4-2-3-5-14(13)12-16/h2-5,10-11H,6-9,12,17H2,1H3
InChIKeyGQPHOANLGZTWGU-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.24
Rot. Bonds3

About 2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine

2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 114529366) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID114529366
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESCn1ccnc1CCC1(N)CCc2ccccc2C1
InChIInChI=1S/C16H21N3/c1-19-11-10-18-15(19)7-9-16(17)8-6-13-4-2-3-5-14(13)12-16/h2-5,10-11H,6-9,12,17H2,1H3
InChIKeyGQPHOANLGZTWGU-UHFFFAOYSA-N
XLogP2.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 79744347
2-[2-(1-methylimidazol-2-yl)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 114532607
1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
CID 79743743
1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 114529396
3-[2-(1-methylimidazol-2-yl)ethyl]-2,4-dihydrochromene-3-carboxylic acid
CID 114532606
1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533271
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530343
2-(2-ethoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 62621096
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine (CID 114529366) is 2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine is Cn1ccnc1CCC1(N)CCc2ccccc2C1.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is GQPHOANLGZTWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-11-10-18-15(19)7-9-16(17)8-6-13-4-2-3-5-14(13)12-16/h2-5,10-11H,6-9,12,17H2,1H3.
What are the key properties of 2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 114529366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).