3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine

C18H25NO — CID 63506249

IUPAC3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine
SMILESCC(C)CCNCC(C)Oc1cccc2ccccc12
InChIInChI=1S/C18H25NO/c1-14(2)11-12-19-13-15(3)20-18-10-6-8-16-7-4-5-9-17(16)18/h4-10,14-15,19H,11-13H2,1-3H3
InChIKeyZWPYFHGYOYYJTG-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.24
Rot. Bonds7

About 3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine

3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine (PubChem CID 63506249) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine
PubChem CID63506249
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine
SMILESCC(C)CCNCC(C)Oc1cccc2ccccc12
InChIInChI=1S/C18H25NO/c1-14(2)11-12-19-13-15(3)20-18-10-6-8-16-7-4-5-9-17(16)18/h4-10,14-15,19H,11-13H2,1-3H3
InChIKeyZWPYFHGYOYYJTG-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.24
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-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine
CID 62571196
2-naphthalen-1-yloxypropan-1-ol
CID 13259427
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine
CID 62570902
N-ethyl-3-methyl-2-naphthalen-1-yloxybutan-1-amine
CID 62459225
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine
CID 62598270
2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine
CID 62484684
N-[2-(4-chloro-2-methylphenoxy)propyl]-3-methylbutan-1-amine
CID 63506904
1-(4-methylpentoxy)naphthalene
CID 83168126
N-[2-(4-ethylphenoxy)propyl]-3-methylbutan-1-amine
CID 55088069
2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol
CID 64804569
2-(2-ethylphenoxy)-N-propylpropan-1-amine
CID 62486791

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine (CID 63506249) is 3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine is CC(C)CCNCC(C)Oc1cccc2ccccc12.
What is the InChIKey of 3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine?
The InChIKey is ZWPYFHGYOYYJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14(2)11-12-19-13-15(3)20-18-10-6-8-16-7-4-5-9-17(16)18/h4-10,14-15,19H,11-13H2,1-3H3.
What are the key properties of 3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine?
3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine is sourced from PubChem (CID 63506249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).