N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine

C17H23NO — CID 64867903

IUPACN-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc2ccccc2c1CCNCC(C)C
InChIInChI=1S/C17H23NO/c1-13(2)12-18-11-10-16-15-7-5-4-6-14(15)8-9-17(16)19-3/h4-9,13,18H,10-12H2,1-3H3
InChIKeyRCTCZERRAXUJSY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine

N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 64867903) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine
PubChem CID64867903
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc2ccccc2c1CCNCC(C)C
InChIInChI=1S/C17H23NO/c1-13(2)12-18-11-10-16-15-7-5-4-6-14(15)8-9-17(16)19-3/h4-9,13,18H,10-12H2,1-3H3
InChIKeyRCTCZERRAXUJSY-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine
CID 95127622
1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794
(2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine
CID 95130442
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584591
N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine
CID 81048737
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
N-methyl-2-(2-propan-2-yloxynaphthalen-1-yl)ethanamine
CID 82550374
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63055930
2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine
CID 5158918
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine
CID 63226555

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine (CID 64867903) is N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine is COc1ccc2ccccc2c1CCNCC(C)C.
What is the InChIKey of N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is RCTCZERRAXUJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(2)12-18-11-10-16-15-7-5-4-6-14(15)8-9-17(16)19-3/h4-9,13,18H,10-12H2,1-3H3.
What are the key properties of N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine?
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64867903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).