(2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C17H24N4O — CID 95220305

IUPAC(2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCn1cnnc1CN[C@@H]1CCc2ccc(OC)cc2C1
InChIInChI=1S/C17H24N4O/c1-3-8-21-12-19-20-17(21)11-18-15-6-4-13-5-7-16(22-2)10-14(13)9-15/h5,7,10,12,15,18H,3-4,6,8-9,11H2,1-2H3/t15-/m1/s1
InChIKeyZPVCPDLZYUCPAB-OAHLLOKOSA-N
MW300.41 g/mol
LogP2.34
Rot. Bonds6

About (2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 95220305) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID95220305
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCn1cnnc1CN[C@@H]1CCc2ccc(OC)cc2C1
InChIInChI=1S/C17H24N4O/c1-3-8-21-12-19-20-17(21)11-18-15-6-4-13-5-7-16(22-2)10-14(13)9-15/h5,7,10,12,15,18H,3-4,6,8-9,11H2,1-2H3/t15-/m1/s1
InChIKeyZPVCPDLZYUCPAB-OAHLLOKOSA-N
XLogP2.34
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
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
7-methoxy-N-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510457
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
7-methoxy-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510305
N-(furan-2-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510207
7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510616
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510599
7-methoxy-N-[(4-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114955055
N-(2-ethoxypropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115763357
1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-methylpentan-2-ol
CID 103845700

Frequently Asked Questions

What is the IUPAC name of (2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 95220305) is (2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is CCCn1cnnc1CN[C@@H]1CCc2ccc(OC)cc2C1.
What is the InChIKey of (2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ZPVCPDLZYUCPAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-8-21-12-19-20-17(21)11-18-15-6-4-13-5-7-16(22-2)10-14(13)9-15/h5,7,10,12,15,18H,3-4,6,8-9,11H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 95220305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).