N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine

C19H22N2 — CID 56864418

IUPACN-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine
SMILESc1cc2c(c(-c3ccc(CNC4CC4)cc3)c1)CCNC2
InChIInChI=1S/C19H22N2/c1-2-16-13-20-11-10-19(16)18(3-1)15-6-4-14(5-7-15)12-21-17-8-9-17/h1-7,17,20-21H,8-13H2
InChIKeyQLGCMLBURPJAIX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.25
Rot. Bonds4

About N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine

N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine (PubChem CID 56864418) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine
PubChem CID56864418
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine
SMILESc1cc2c(c(-c3ccc(CNC4CC4)cc3)c1)CCNC2
InChIInChI=1S/C19H22N2/c1-2-16-13-20-11-10-19(16)18(3-1)15-6-4-14(5-7-15)12-21-17-8-9-17/h1-7,17,20-21H,8-13H2
InChIKeyQLGCMLBURPJAIX-UHFFFAOYSA-N
XLogP3.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine
CID 171934626
N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide
CID 95556788
N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104851
5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 114606074
tert-butyl N-[[4-(1,2,3,4-tetrahydroisoquinolin-8-yl)phenyl]methyl]carbamate
CID 82583246
6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 142671195
N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980819
N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine
CID 114746607
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]methyl]cyclopropanamine
CID 43287136
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62437838
1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone
CID 56875605

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine (CID 56864418) is N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine is c1cc2c(c(-c3ccc(CNC4CC4)cc3)c1)CCNC2.
What is the InChIKey of N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is QLGCMLBURPJAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-16-13-20-11-10-19(16)18(3-1)15-6-4-14(5-7-15)12-21-17-8-9-17/h1-7,17,20-21H,8-13H2.
What are the key properties of N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 278.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 56864418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).