1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine

C16H24N2O — CID 65262470

IUPAC1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
SMILESc1ccc2c(c1)CNCC2CNCC1CCCCO1
InChIInChI=1S/C16H24N2O/c1-2-7-16-13(5-1)9-17-10-14(16)11-18-12-15-6-3-4-8-19-15/h1-2,5,7,14-15,17-18H,3-4,6,8-12H2
InChIKeySVFHDBGXEWRIAO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.03
Rot. Bonds4

About 1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine

1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine (PubChem CID 65262470) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
PubChem CID65262470
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
SMILESc1ccc2c(c1)CNCC2CNCC1CCCCO1
InChIInChI=1S/C16H24N2O/c1-2-7-16-13(5-1)9-17-10-14(16)11-18-12-15-6-3-4-8-19-15/h1-2,5,7,14-15,17-18H,3-4,6,8-12H2
InChIKeySVFHDBGXEWRIAO-UHFFFAOYSA-N
XLogP2.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(oxolan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
CID 65262274
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262511
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine
CID 79221459
2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 65024858
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 55013332
2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine
CID 83144626
2-(oxolan-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 55243439
1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 65262140
N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006474
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 61151159
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine?
The IUPAC name of 1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine (CID 65262470) is 1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine is c1ccc2c(c1)CNCC2CNCC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine?
The InChIKey is SVFHDBGXEWRIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-7-16-13(5-1)9-17-10-14(16)11-18-12-15-6-3-4-8-19-15/h1-2,5,7,14-15,17-18H,3-4,6,8-12H2.
What are the key properties of 1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine?
1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine is sourced from PubChem (CID 65262470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).