(4-propan-2-yloxyquinolin-3-yl)methanamine

C13H16N2O — CID 43669459

IUPAC(4-propan-2-yloxyquinolin-3-yl)methanamine
SMILESCC(C)Oc1c(CN)cnc2ccccc12
InChIInChI=1S/C13H16N2O/c1-9(2)16-13-10(7-14)8-15-12-6-4-3-5-11(12)13/h3-6,8-9H,7,14H2,1-2H3
InChIKeyJREHNGBTELKRDY-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.48
Rot. Bonds3

About (4-propan-2-yloxyquinolin-3-yl)methanamine

(4-propan-2-yloxyquinolin-3-yl)methanamine (PubChem CID 43669459) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (4-propan-2-yloxyquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(4-propan-2-yloxyquinolin-3-yl)methanamine
PubChem CID43669459
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(4-propan-2-yloxyquinolin-3-yl)methanamine
SMILESCC(C)Oc1c(CN)cnc2ccccc12
InChIInChI=1S/C13H16N2O/c1-9(2)16-13-10(7-14)8-15-12-6-4-3-5-11(12)13/h3-6,8-9H,7,14H2,1-2H3
InChIKeyJREHNGBTELKRDY-UHFFFAOYSA-N
XLogP2.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methoxyphenoxy)quinolin-3-yl]methanamine
CID 43669445
3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
CID 81052877
3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine
CID 43669369
[4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine
CID 82804822
3-ethyl-4-propan-2-ylquinoline
CID 134512006
[4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine
CID 63037258
3-(aminomethyl)-N-ethylquinolin-4-amine
CID 62105650
3-(aminomethyl)-N,N-diethylquinolin-4-amine
CID 43669325
3-(4-methylsulfanylquinolin-3-yl)sulfanyl-4-propan-2-yloxyquinoline
CID 15270562
[4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine
CID 61290357
4-(3-methylbutan-2-yloxy)quinolin-3-amine
CID 113359457
3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine
CID 43669395

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyquinolin-3-yl)methanamine?
The IUPAC name of (4-propan-2-yloxyquinolin-3-yl)methanamine (CID 43669459) is (4-propan-2-yloxyquinolin-3-yl)methanamine.
What is the SMILES notation for (4-propan-2-yloxyquinolin-3-yl)methanamine?
The canonical SMILES for (4-propan-2-yloxyquinolin-3-yl)methanamine is CC(C)Oc1c(CN)cnc2ccccc12.
What is the InChIKey of (4-propan-2-yloxyquinolin-3-yl)methanamine?
The InChIKey is JREHNGBTELKRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)16-13-10(7-14)8-15-12-6-4-3-5-11(12)13/h3-6,8-9H,7,14H2,1-2H3.
What are the key properties of (4-propan-2-yloxyquinolin-3-yl)methanamine?
(4-propan-2-yloxyquinolin-3-yl)methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyquinolin-3-yl)methanamine is sourced from PubChem (CID 43669459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).