(1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine

C13H20N2 — CID 84620410

IUPAC(1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
SMILESCc1ccc2c(c1C)N(C)C(CN)CC2
InChIInChI=1S/C13H20N2/c1-9-4-5-11-6-7-12(8-14)15(3)13(11)10(9)2/h4-5,12H,6-8,14H2,1-3H3
InChIKeyFFTOJTVLMFJQKX-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.01
Rot. Bonds1

About (1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine

(1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine (PubChem CID 84620410) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine.

Molecular Properties

Compound Name(1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
PubChem CID84620410
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
SMILESCc1ccc2c(c1C)N(C)C(CN)CC2
InChIInChI=1S/C13H20N2/c1-9-4-5-11-6-7-12(8-14)15(3)13(11)10(9)2/h4-5,12H,6-8,14H2,1-3H3
InChIKeyFFTOJTVLMFJQKX-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine?
The IUPAC name of (1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine (CID 84620410) is (1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine.
What is the SMILES notation for (1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine?
The canonical SMILES for (1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine is Cc1ccc2c(c1C)N(C)C(CN)CC2.
What is the InChIKey of (1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine?
The InChIKey is FFTOJTVLMFJQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-4-5-11-6-7-12(8-14)15(3)13(11)10(9)2/h4-5,12H,6-8,14H2,1-3H3.
What are the key properties of (1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine?
(1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine has a molecular weight of 204.32 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine is sourced from PubChem (CID 84620410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).