3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one

C14H15NO — CID 116915436

IUPAC3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one
SMILESCc1ccc2cc(C(=O)CCN)ccc2c1
InChIInChI=1S/C14H15NO/c1-10-2-3-12-9-13(14(16)6-7-15)5-4-11(12)8-10/h2-5,8-9H,6-7,15H2,1H3
InChIKeyTUQFUCSBGOEYQH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.68
Rot. Bonds3

About 3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one

3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one (PubChem CID 116915436) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one
PubChem CID116915436
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one
SMILESCc1ccc2cc(C(=O)CCN)ccc2c1
InChIInChI=1S/C14H15NO/c1-10-2-3-12-9-13(14(16)6-7-15)5-4-11(12)8-10/h2-5,8-9H,6-7,15H2,1H3
InChIKeyTUQFUCSBGOEYQH-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 116915455
CID 88929951
CID 88929951
2-bromo-1-(6-methylnaphthalen-2-yl)ethanone
CID 12698900
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
4-(6,7-dimethylnaphthalen-2-yl)-4-oxobutanoic acid
CID 22904590
3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one
CID 117282618
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897
3-amino-1-(2-hydroxy-4-methylphenyl)propan-1-one
CID 82600154
4-amino-1-(3,4-dimethylphenyl)butan-1-one
CID 55267484

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one?
The IUPAC name of 3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one (CID 116915436) is 3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one is Cc1ccc2cc(C(=O)CCN)ccc2c1.
What is the InChIKey of 3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one?
The InChIKey is TUQFUCSBGOEYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-2-3-12-9-13(14(16)6-7-15)5-4-11(12)8-10/h2-5,8-9H,6-7,15H2,1H3.
What are the key properties of 3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one?
3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one has a molecular weight of 213.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 116915436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).