[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine

C18H29NO — CID 65407527

IUPAC[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCC(C)CCOCCC1(CN)CCc2ccccc2C1
InChIInChI=1S/C18H29NO/c1-15(2)8-11-20-12-10-18(14-19)9-7-16-5-3-4-6-17(16)13-18/h3-6,15H,7-14,19H2,1-2H3
InChIKeyMPRAHIUQEZDOMB-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.57
Rot. Bonds7

About [2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine

[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine (PubChem CID 65407527) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine
PubChem CID65407527
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCC(C)CCOCCC1(CN)CCc2ccccc2C1
InChIInChI=1S/C18H29NO/c1-15(2)8-11-20-12-10-18(14-19)9-7-16-5-3-4-6-17(16)13-18/h3-6,15H,7-14,19H2,1-2H3
InChIKeyMPRAHIUQEZDOMB-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The IUPAC name of [2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine (CID 65407527) is [2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine.
What is the SMILES notation for [2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The canonical SMILES for [2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine is CC(C)CCOCCC1(CN)CCc2ccccc2C1.
What is the InChIKey of [2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The InChIKey is MPRAHIUQEZDOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(2)8-11-20-12-10-18(14-19)9-7-16-5-3-4-6-17(16)13-18/h3-6,15H,7-14,19H2,1-2H3.
What are the key properties of [2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine is sourced from PubChem (CID 65407527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).