N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine

C19H27NO — CID 83141221

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
SMILESCOc1ccc2cc(CNCC(C)C(C)(C)C)ccc2c1
InChIInChI=1S/C19H27NO/c1-14(19(2,3)4)12-20-13-15-6-7-17-11-18(21-5)9-8-16(17)10-15/h6-11,14,20H,12-13H2,1-5H3
InChIKeyIHDKULJYSOLRHB-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.62
Rot. Bonds5

About N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine

N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine (PubChem CID 83141221) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
PubChem CID83141221
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
SMILESCOc1ccc2cc(CNCC(C)C(C)(C)C)ccc2c1
InChIInChI=1S/C19H27NO/c1-14(19(2,3)4)12-20-13-15-6-7-17-11-18(21-5)9-8-16(17)10-15/h6-11,14,20H,12-13H2,1-5H3
InChIKeyIHDKULJYSOLRHB-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115592755
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115655584
3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol
CID 66175454
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine
CID 61468865
2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine
CID 10730152
1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol
CID 63679069
N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine
CID 60887556
N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252801
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
N-[(3-bromo-4-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83230110
1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 60711272

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine (CID 83141221) is N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine is COc1ccc2cc(CNCC(C)C(C)(C)C)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine?
The InChIKey is IHDKULJYSOLRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-14(19(2,3)4)12-20-13-15-6-7-17-11-18(21-5)9-8-16(17)10-15/h6-11,14,20H,12-13H2,1-5H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine?
N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83141221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).