1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine

C19H27NO — CID 43494411

IUPAC1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(OC)c2ccccc12
InChIInChI=1S/C19H27NO/c1-5-12-20-18(13-14(2)3)16-10-11-19(21-4)17-9-7-6-8-15(16)17/h6-11,14,18,20H,5,12-13H2,1-4H3
InChIKeyZRZKIEFDXXHCNF-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.94
Rot. Bonds7

About 1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine

1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine (PubChem CID 43494411) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
PubChem CID43494411
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(OC)c2ccccc12
InChIInChI=1S/C19H27NO/c1-5-12-20-18(13-14(2)3)16-10-11-19(21-4)17-9-7-6-8-15(16)17/h6-11,14,18,20H,5,12-13H2,1-4H3
InChIKeyZRZKIEFDXXHCNF-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 79596816
3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 55188123
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
CID 171213236
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
CID 114874516
1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine
CID 63939204
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-but-3-ynyl-1-(4-methoxynaphthalen-1-yl)ethane-1,2-diamine
CID 116641053
1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine
CID 43480864
1-(2,3-dimethoxyphenyl)-N-propylpentan-1-amine
CID 105125511
1-(1-chlorobutyl)-4-methoxynaphthalene
CID 63430592

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine (CID 43494411) is 1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)C)c1ccc(OC)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is ZRZKIEFDXXHCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-5-12-20-18(13-14(2)3)16-10-11-19(21-4)17-9-7-6-8-15(16)17/h6-11,14,18,20H,5,12-13H2,1-4H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine?
1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.94, 7 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)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 43494411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).