N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine

C19H27NO2 — CID 17209000

IUPACN-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCCOc1ccc2ccccc2c1CNCCCOC(C)C
InChIInChI=1S/C19H27NO2/c1-4-21-19-11-10-16-8-5-6-9-17(16)18(19)14-20-12-7-13-22-15(2)3/h5-6,8-11,15,20H,4,7,12-14H2,1-3H3
InChIKeyXYTYTIIQNABTLE-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.14
Rot. Bonds9

About N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine

N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 17209000) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine
PubChem CID17209000
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCCOc1ccc2ccccc2c1CNCCCOC(C)C
InChIInChI=1S/C19H27NO2/c1-4-21-19-11-10-16-8-5-6-9-17(16)18(19)14-20-12-7-13-22-15(2)3/h5-6,8-11,15,20H,4,7,12-14H2,1-3H3
InChIKeyXYTYTIIQNABTLE-UHFFFAOYSA-N
XLogP4.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209098
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17208850
3-methoxy-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54849354
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531940
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
CID 54807559
3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 102536565
3-ethoxy-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine
CID 17054847
N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526225

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine (CID 17209000) is N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine is CCOc1ccc2ccccc2c1CNCCCOC(C)C.
What is the InChIKey of N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is XYTYTIIQNABTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-4-21-19-11-10-16-8-5-6-9-17(16)18(19)14-20-12-7-13-22-15(2)3/h5-6,8-11,15,20H,4,7,12-14H2,1-3H3.
What are the key properties of N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine?
N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 301.43 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 17209000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).