2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one

C13H17NO — CID 84620035

IUPAC2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)NC1CCc2ccccc2C1=O
InChIInChI=1S/C13H17NO/c1-9(2)14-12-8-7-10-5-3-4-6-11(10)13(12)15/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyXOXQGXPDKSYBQE-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.18
Rot. Bonds2

About 2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one

2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 84620035) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID84620035
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)NC1CCc2ccccc2C1=O
InChIInChI=1S/C13H17NO/c1-9(2)14-12-8-7-10-5-3-4-6-11(10)13(12)15/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyXOXQGXPDKSYBQE-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 84627517
7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 19789819
2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 100977502
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451
2-(2-methylpropylsulfanyl)-3,4-dihydro-2H-naphthalen-1-one
CID 118198306
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one
CID 169445455
(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 98051177
6-deuterio-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 11105878
2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one
CID 13419689
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
9H-fluoren-9-ylmethyl N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
CID 122234210

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one (CID 84620035) is 2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one is CC(C)NC1CCc2ccccc2C1=O.
What is the InChIKey of 2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is XOXQGXPDKSYBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)14-12-8-7-10-5-3-4-6-11(10)13(12)15/h3-6,9,12,14H,7-8H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 203.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 84620035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).