N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine

C18H25NO — CID 104827856

IUPACN-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine
SMILESCOc1ccc(CNC(C)C(C)(C)C)c2ccccc12
InChIInChI=1S/C18H25NO/c1-13(18(2,3)4)19-12-14-10-11-17(20-5)16-9-7-6-8-15(14)16/h6-11,13,19H,12H2,1-5H3
InChIKeyPVAHWHYBGXNLMD-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.37
Rot. Bonds4

About N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine

N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine (PubChem CID 104827856) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine
PubChem CID104827856
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine
SMILESCOc1ccc(CNC(C)C(C)(C)C)c2ccccc12
InChIInChI=1S/C18H25NO/c1-13(18(2,3)4)19-12-14-10-11-17(20-5)16-9-7-6-8-15(14)16/h6-11,13,19H,12H2,1-5H3
InChIKeyPVAHWHYBGXNLMD-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine
CID 792105
N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623243
3,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-2-amine
CID 115623175
2-(hydroxymethyl)-2-[(4-methoxynaphthalen-1-yl)methylamino]propane-1,3-diol
CID 107850406
3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
CID 79254161
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
3-[(4-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 78974976
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613
(2S)-2-N-[(2,3,4-trimethoxyphenyl)methyl]propane-1,2-diamine
CID 104867748
3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463338
N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671454
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623081

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine (CID 104827856) is N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine is COc1ccc(CNC(C)C(C)(C)C)c2ccccc12.
What is the InChIKey of N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine?
The InChIKey is PVAHWHYBGXNLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13(18(2,3)4)19-12-14-10-11-17(20-5)16-9-7-6-8-15(14)16/h6-11,13,19H,12H2,1-5H3.
What are the key properties of N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine?
N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine has a molecular weight of 271.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 104827856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).