N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

C16H25NO — CID 43147335

IUPACN-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCOCC(C)NC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H25NO/c1-12(11-18-4)17-15-9-10-16(2,3)14-8-6-5-7-13(14)15/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyPBCITSAVKBREKV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.42
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 43147335) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID43147335
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCOCC(C)NC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H25NO/c1-12(11-18-4)17-15-9-10-16(2,3)14-8-6-5-7-13(14)15/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyPBCITSAVKBREKV-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (CID 43147335) is N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is COCC(C)NC1CCC(C)(C)c2ccccc21.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is PBCITSAVKBREKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(11-18-4)17-15-9-10-16(2,3)14-8-6-5-7-13(14)15/h5-8,12,15,17H,9-11H2,1-4H3.
What are the key properties of N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 43147335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).