3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine

C18H25NO — CID 116720031

IUPAC3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine
SMILESCNC(Cc1cccc2ccccc12)C(OC)C(C)C
InChIInChI=1S/C18H25NO/c1-13(2)18(20-4)17(19-3)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,13,17-19H,12H2,1-4H3
InChIKeyAVHLBFVEROLLMF-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.64
Rot. Bonds6

About 3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine

3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine (PubChem CID 116720031) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine.

Molecular Properties

Compound Name3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine
PubChem CID116720031
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine
SMILESCNC(Cc1cccc2ccccc12)C(OC)C(C)C
InChIInChI=1S/C18H25NO/c1-13(2)18(20-4)17(19-3)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,13,17-19H,12H2,1-4H3
InChIKeyAVHLBFVEROLLMF-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
N,4-dimethyl-3-(naphthalen-1-ylmethyl)pentan-2-amine
CID 62916002
1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116719918
3-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 79616440
N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine
CID 62528945
N,2-dimethyl-3-naphthalen-1-ylpropan-1-amine
CID 62528877
3-methyl-2-(naphthalen-1-ylmethyl)butanenitrile
CID 116931776
3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine
CID 116721266
3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 116720086
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116720261
1-(2-chloropropyl)naphthalene
CID 12809422
1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116720122

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine?
The IUPAC name of 3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine (CID 116720031) is 3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine.
What is the SMILES notation for 3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine?
The canonical SMILES for 3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine is CNC(Cc1cccc2ccccc12)C(OC)C(C)C.
What is the InChIKey of 3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine?
The InChIKey is AVHLBFVEROLLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13(2)18(20-4)17(19-3)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,13,17-19H,12H2,1-4H3.
What are the key properties of 3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine?
3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine has a molecular weight of 271.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine is sourced from PubChem (CID 116720031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).