N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine

C18H31NO — CID 79420861

IUPACN-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine
SMILESCCOCCCC(CNC(C)(C)C)c1ccccc1C
InChIInChI=1S/C18H31NO/c1-6-20-13-9-11-16(14-19-18(3,4)5)17-12-8-7-10-15(17)2/h7-8,10,12,16,19H,6,9,11,13-14H2,1-5H3
InChIKeyJSHJDTDRLIOKLB-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.28
Rot. Bonds8

About N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine

N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine (PubChem CID 79420861) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine
PubChem CID79420861
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine
SMILESCCOCCCC(CNC(C)(C)C)c1ccccc1C
InChIInChI=1S/C18H31NO/c1-6-20-13-9-11-16(14-19-18(3,4)5)17-12-8-7-10-15(17)2/h7-8,10,12,16,19H,6,9,11,13-14H2,1-5H3
InChIKeyJSHJDTDRLIOKLB-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
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-tert-butyl-2-(2-methylphenyl)pentan-1-amine
CID 79420694
4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 79421089
N-tert-butyl-2-(3-chlorophenyl)-5-ethoxypentan-1-amine
CID 79442507
4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267
N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine
CID 79421586
N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79424138
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
2-(2-bromophenyl)-N-tert-butyl-4-propoxybutan-1-amine
CID 106457208
2-(2-bromophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79449363
2-(2-chlorophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79448818
1-(1-chloro-5-methoxypentan-2-yl)-2-methylbenzene
CID 79418606
N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine (CID 79420861) is N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine is CCOCCCC(CNC(C)(C)C)c1ccccc1C.
What is the InChIKey of N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine?
The InChIKey is JSHJDTDRLIOKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-20-13-9-11-16(14-19-18(3,4)5)17-12-8-7-10-15(17)2/h7-8,10,12,16,19H,6,9,11,13-14H2,1-5H3.
What are the key properties of N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine?
N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine is sourced from PubChem (CID 79420861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).