(2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C20H22N4O — CID 97326384

IUPAC(2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)C[C@H](NCc1ccc(-n3ccnc3)nc1)CC2
InChIInChI=1S/C20H22N4O/c1-25-19-6-4-16-3-5-18(10-17(16)11-19)22-12-15-2-7-20(23-13-15)24-9-8-21-14-24/h2,4,6-9,11,13-14,18,22H,3,5,10,12H2,1H3/t18-/m1/s1
InChIKeyROTFJFKNTPMJPZ-GOSISDBHSA-N
MW334.42 g/mol
LogP2.92
Rot. Bonds5

About (2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 97326384) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID97326384
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)C[C@H](NCc1ccc(-n3ccnc3)nc1)CC2
InChIInChI=1S/C20H22N4O/c1-25-19-6-4-16-3-5-18(10-17(16)11-19)22-12-15-2-7-20(23-13-15)24-9-8-21-14-24/h2,4,6-9,11,13-14,18,22H,3,5,10,12H2,1H3/t18-/m1/s1
InChIKeyROTFJFKNTPMJPZ-GOSISDBHSA-N
XLogP2.92
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

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Related Compounds

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 84589688
7-methoxy-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510305
7-methoxy-N-[(4-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114955055
7-methoxy-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510271
7-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510431
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
7-methoxy-N-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510244
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510599
(2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 95220305
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 154746074
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 97326384) is (2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)C[C@H](NCc1ccc(-n3ccnc3)nc1)CC2.
What is the InChIKey of (2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ROTFJFKNTPMJPZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-19-6-4-16-3-5-18(10-17(16)11-19)22-12-15-2-7-20(23-13-15)24-9-8-21-14-24/h2,4,6-9,11,13-14,18,22H,3,5,10,12H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 334.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 97326384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).