2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine

C16H21N3 — CID 79744347

IUPAC2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCn1ccnc1CC1(N)CCc2ccccc2C1
InChIInChI=1S/C16H21N3/c1-2-19-10-9-18-15(19)12-16(17)8-7-13-5-3-4-6-14(13)11-16/h3-6,9-10H,2,7-8,11-12,17H2,1H3
InChIKeyPMSWPYAPNYFQSG-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.33
Rot. Bonds3

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

2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 79744347) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID79744347
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCn1ccnc1CC1(N)CCc2ccccc2C1
InChIInChI=1S/C16H21N3/c1-2-19-10-9-18-15(19)12-16(17)8-7-13-5-3-4-6-14(13)11-16/h3-6,9-10H,2,7-8,11-12,17H2,1H3
InChIKeyPMSWPYAPNYFQSG-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 114529366
1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
CID 79743744
1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 79744545
3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one
CID 116538582
2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 82869700
2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 79760621
1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 113446872
1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79744452
2-ethyl-1-[(1-ethylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744542
2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-amine;dichloroplatinum
CID 19741694

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine (CID 79744347) is 2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine is CCn1ccnc1CC1(N)CCc2ccccc2C1.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is PMSWPYAPNYFQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-19-10-9-18-15(19)12-16(17)8-7-13-5-3-4-6-14(13)11-16/h3-6,9-10H,2,7-8,11-12,17H2,1H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 79744347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).