5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine

C18H31NO — CID 70956835

IUPAC5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine
SMILESCCNCCCCCc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C18H31NO/c1-6-19-13-9-7-8-10-15-14-16(18(2,3)4)11-12-17(15)20-5/h11-12,14,19H,6-10,13H2,1-5H3
InChIKeyYMWUBGZOCFCQAH-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.32
Rot. Bonds8

About 5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine

5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine (PubChem CID 70956835) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine
PubChem CID70956835
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine
SMILESCCNCCCCCc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C18H31NO/c1-6-19-13-9-7-8-10-15-14-16(18(2,3)4)11-12-17(15)20-5/h11-12,14,19H,6-10,13H2,1-5H3
InChIKeyYMWUBGZOCFCQAH-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.32
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

6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205811
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]butane-1,4-diamine
CID 115201190
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine
CID 65305689
6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine
CID 65306553
2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol
CID 94687236
N-(bromomethyl)-1-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 115261853
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
CID 117320541

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine?
The IUPAC name of 5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine (CID 70956835) is 5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine.
What is the SMILES notation for 5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine?
The canonical SMILES for 5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine is CCNCCCCCc1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine?
The InChIKey is YMWUBGZOCFCQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-19-13-9-7-8-10-15-14-16(18(2,3)4)11-12-17(15)20-5/h11-12,14,19H,6-10,13H2,1-5H3.
What are the key properties of 5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine?
5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine is sourced from PubChem (CID 70956835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).