N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine

C19H20N2 — CID 43229360

IUPACN-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
SMILESCC(C)c1ccc(CNc2cccc3cnccc23)cc1
InChIInChI=1S/C19H20N2/c1-14(2)16-8-6-15(7-9-16)12-21-19-5-3-4-17-13-20-11-10-18(17)19/h3-11,13-14,21H,12H2,1-2H3
InChIKeyBHVNAHAABGNGDD-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.97
Rot. Bonds4

About N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine

N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine (PubChem CID 43229360) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
PubChem CID43229360
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
SMILESCC(C)c1ccc(CNc2cccc3cnccc23)cc1
InChIInChI=1S/C19H20N2/c1-14(2)16-8-6-15(7-9-16)12-21-19-5-3-4-17-13-20-11-10-18(17)19/h3-11,13-14,21H,12H2,1-2H3
InChIKeyBHVNAHAABGNGDD-UHFFFAOYSA-N
XLogP4.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
N-(thiophen-3-ylmethyl)isoquinolin-5-amine
CID 43681310
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine
CID 142430528
N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine
CID 66397773
N-[(2R)-butan-2-yl]isoquinolin-5-amine
CID 93261822
N-[(2-bromophenyl)methyl]isoquinolin-5-amine
CID 43229357
N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine
CID 54868726
N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine
CID 115742878
N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine
CID 79419365
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol
CID 81413794
5-[1-(isoquinolin-5-ylamino)ethyl]benzene-1,3-diol
CID 107705516

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine (CID 43229360) is N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine is CC(C)c1ccc(CNc2cccc3cnccc23)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine?
The InChIKey is BHVNAHAABGNGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-14(2)16-8-6-15(7-9-16)12-21-19-5-3-4-17-13-20-11-10-18(17)19/h3-11,13-14,21H,12H2,1-2H3.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine?
N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine has a molecular weight of 276.38 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine is sourced from PubChem (CID 43229360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).