5-[3-(dimethylamino)butoxy]naphthalen-1-amine

C16H22N2O — CID 82037878

IUPAC5-[3-(dimethylamino)butoxy]naphthalen-1-amine
SMILESCC(CCOc1cccc2c(N)cccc12)N(C)C
InChIInChI=1S/C16H22N2O/c1-12(18(2)3)10-11-19-16-9-5-6-13-14(16)7-4-8-15(13)17/h4-9,12H,10-11,17H2,1-3H3
InChIKeyJPISNICNEWWGJZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.14
Rot. Bonds5

About 5-[3-(dimethylamino)butoxy]naphthalen-1-amine

5-[3-(dimethylamino)butoxy]naphthalen-1-amine (PubChem CID 82037878) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-[3-(dimethylamino)butoxy]naphthalen-1-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)butoxy]naphthalen-1-amine
PubChem CID82037878
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-[3-(dimethylamino)butoxy]naphthalen-1-amine
SMILESCC(CCOc1cccc2c(N)cccc12)N(C)C
InChIInChI=1S/C16H22N2O/c1-12(18(2)3)10-11-19-16-9-5-6-13-14(16)7-4-8-15(13)17/h4-9,12H,10-11,17H2,1-3H3
InChIKeyJPISNICNEWWGJZ-UHFFFAOYSA-N
XLogP3.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-butoxynaphthalen-1-amine
CID 67167958
4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine
CID 63691515
4-[2-(diethylamino)ethoxy]naphthalen-1-amine
CID 55228090
3-(4-aminonaphthalen-1-yl)oxy-N,N-dimethylpropanamide
CID 63691333
5-(pyridin-2-ylmethoxy)naphthalen-1-amine
CID 82037861
3-ethoxy-2-propan-2-ylaniline
CID 154678316
1-(2-methoxyphenyl)-3-naphthalen-1-yloxypropan-1-amine
CID 19884989
4-(3,3,3-trifluoropropoxy)naphthalen-1-amine
CID 64552253
1-ethyl-2,3-bis(3-methylbutoxy)benzene
CID 91472485
2-(3,3-difluoropropoxy)aniline
CID 84660949
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
4-(3-fluoropropoxy)naphthalen-1-amine
CID 81106275

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)butoxy]naphthalen-1-amine?
The IUPAC name of 5-[3-(dimethylamino)butoxy]naphthalen-1-amine (CID 82037878) is 5-[3-(dimethylamino)butoxy]naphthalen-1-amine.
What is the SMILES notation for 5-[3-(dimethylamino)butoxy]naphthalen-1-amine?
The canonical SMILES for 5-[3-(dimethylamino)butoxy]naphthalen-1-amine is CC(CCOc1cccc2c(N)cccc12)N(C)C.
What is the InChIKey of 5-[3-(dimethylamino)butoxy]naphthalen-1-amine?
The InChIKey is JPISNICNEWWGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(18(2)3)10-11-19-16-9-5-6-13-14(16)7-4-8-15(13)17/h4-9,12H,10-11,17H2,1-3H3.
What are the key properties of 5-[3-(dimethylamino)butoxy]naphthalen-1-amine?
5-[3-(dimethylamino)butoxy]naphthalen-1-amine has a molecular weight of 258.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)butoxy]naphthalen-1-amine is sourced from PubChem (CID 82037878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).