1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride

C16H20ClNO — CID 3063180

IUPAC1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride
SMILESCC(C)NC(C)C(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-11(2)17-12(3)16(18)15-9-8-13-6-4-5-7-14(13)10-15;/h4-12,17H,1-3H3;1H
InChIKeyQRCMPUPPURFKCT-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.83
Rot. Bonds4

About 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride

1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride (PubChem CID 3063180) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride
PubChem CID3063180
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride
SMILESCC(C)NC(C)C(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-11(2)17-12(3)16(18)15-9-8-13-6-4-5-7-14(13)10-15;/h4-12,17H,1-3H3;1H
InChIKeyQRCMPUPPURFKCT-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride (CID 3063180) is 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride is CC(C)NC(C)C(=O)c1ccc2ccccc2c1.Cl.
What is the InChIKey of 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride?
The InChIKey is QRCMPUPPURFKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-11(2)17-12(3)16(18)15-9-8-13-6-4-5-7-14(13)10-15;/h4-12,17H,1-3H3;1H.
What are the key properties of 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride?
1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 3063180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).