2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine

C14H22N2 — CID 65262461

IUPAC2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1CNCc2ccccc21
InChIInChI=1S/C14H22N2/c1-14(2,3)16-10-12-9-15-8-11-6-4-5-7-13(11)12/h4-7,12,15-16H,8-10H2,1-3H3
InChIKeyRLVCJKNXOBTWEP-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.26
Rot. Bonds2

About 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine

2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine (PubChem CID 65262461) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine
PubChem CID65262461
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1CNCc2ccccc21
InChIInChI=1S/C14H22N2/c1-14(2,3)16-10-12-9-15-8-11-6-4-5-7-13(11)12/h4-7,12,15-16H,8-10H2,1-3H3
InChIKeyRLVCJKNXOBTWEP-UHFFFAOYSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 105495024
2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine
CID 83144626
N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine
CID 105498073
N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
CID 65262510
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262511
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
4-[(3,5-dimethylcyclohexyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505025
4-(methylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104290
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783
4-tert-butyl-1,2,3,4-tetrahydroisoquinoline
CID 58837525
4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505031
1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 65262140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine (CID 65262461) is 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine is CC(C)(C)NCC1CNCc2ccccc21.
What is the InChIKey of 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine?
The InChIKey is RLVCJKNXOBTWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,3)16-10-12-9-15-8-11-6-4-5-7-13(11)12/h4-7,12,15-16H,8-10H2,1-3H3.
What are the key properties of 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine?
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 65262461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).