1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine

C17H23NO — CID 43480864

IUPAC1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1ccc(OC)c2ccccc12
InChIInChI=1S/C17H23NO/c1-5-12(2)17(18-3)15-10-11-16(19-4)14-9-7-6-8-13(14)15/h6-12,17-18H,5H2,1-4H3
InChIKeyMJNKDZVXNHHUCW-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.16
Rot. Bonds5

About 1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine

1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine (PubChem CID 43480864) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine
PubChem CID43480864
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1ccc(OC)c2ccccc12
InChIInChI=1S/C17H23NO/c1-5-12(2)17(18-3)15-10-11-16(19-4)14-9-7-6-8-13(14)15/h6-12,17-18H,5H2,1-4H3
InChIKeyMJNKDZVXNHHUCW-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 43589022
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
1-(1-chloro-2-ethylbutyl)-4-methoxynaphthalene
CID 63430865
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine
CID 43589090
1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
CID 114246284
1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
CID 63439056
1-(1-chlorobutyl)-4-methoxynaphthalene
CID 63430592
1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 43494411
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468
(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
CID 171213236
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
CID 2202790

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine (CID 43480864) is 1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine is CCC(C)C(NC)c1ccc(OC)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is MJNKDZVXNHHUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-5-12(2)17(18-3)15-10-11-16(19-4)14-9-7-6-8-13(14)15/h6-12,17-18H,5H2,1-4H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine?
1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 43480864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).