N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine

C18H25NO — CID 82941427

IUPACN-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine
SMILESCCCOCCCNC(C)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-3-12-20-13-6-11-19-15(2)17-10-9-16-7-4-5-8-18(16)14-17/h4-5,7-10,14-15,19H,3,6,11-13H2,1-2H3
InChIKeyIRLYNFANCPLKAH-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.31
Rot. Bonds8

About N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine

N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine (PubChem CID 82941427) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine
PubChem CID82941427
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine
SMILESCCCOCCCNC(C)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-3-12-20-13-6-11-19-15(2)17-10-9-16-7-4-5-8-18(16)14-17/h4-5,7-10,14-15,19H,3,6,11-13H2,1-2H3
InChIKeyIRLYNFANCPLKAH-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.31
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

N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
4-[1-(3-propoxypropylamino)ethyl]phenol
CID 82941450
5-(1-naphthalen-2-ylethylamino)pentan-1-ol
CID 103912661
N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide
CID 82940339
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
CID 82941407
3-butoxy-N-[1-[3-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115704413
2-(1-butoxypropan-2-yl)naphthalene
CID 91801948
3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 113219272
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 82313385

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine?
The IUPAC name of N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine (CID 82941427) is N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine.
What is the SMILES notation for N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine?
The canonical SMILES for N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine is CCCOCCCNC(C)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine?
The InChIKey is IRLYNFANCPLKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-12-20-13-6-11-19-15(2)17-10-9-16-7-4-5-8-18(16)14-17/h4-5,7-10,14-15,19H,3,6,11-13H2,1-2H3.
What are the key properties of N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine?
N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine is sourced from PubChem (CID 82941427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).