N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine

C18H25NO2 — CID 63685085

IUPACN-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine
SMILESCCCOCCOCC(NC)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO2/c1-3-10-20-11-12-21-14-18(19-2)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13,18-19H,3,10-12,14H2,1-2H3
InChIKeyLEHGQSIHJNMVMQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.54
Rot. Bonds9

About N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine

N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine (PubChem CID 63685085) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine
PubChem CID63685085
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine
SMILESCCCOCCOCC(NC)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO2/c1-3-10-20-11-12-21-14-18(19-2)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13,18-19H,3,10-12,14H2,1-2H3
InChIKeyLEHGQSIHJNMVMQ-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.54
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-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63685624
3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302
1-(3-iodophenyl)-N-methyl-2-propoxyethanamine
CID 105008577
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine
CID 105008492
N-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
CID 62797505
1-(2-methoxyphenyl)-N-methyl-2-(2-propoxyethoxy)ethanamine
CID 63686193
N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine
CID 82941427
2-(2-cyclopropylethoxy)-N-ethyl-1-naphthalen-2-ylethanamine
CID 106200656
N-methyl-1-(5-methylfuran-3-yl)-2-propoxyethanamine
CID 105008302
N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 62716073
2-(1-butoxypropan-2-yl)naphthalene
CID 91801948

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine?
The IUPAC name of N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine (CID 63685085) is N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine?
The canonical SMILES for N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine is CCCOCCOCC(NC)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine?
The InChIKey is LEHGQSIHJNMVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-10-20-11-12-21-14-18(19-2)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13,18-19H,3,10-12,14H2,1-2H3.
What are the key properties of N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine?
N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine has a molecular weight of 287.40 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine is sourced from PubChem (CID 63685085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).