N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine

C17H29NO2 — CID 62571520

IUPACN-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
SMILESCCC(C)(C)c1ccc(OC(C)CNCCOC)cc1
InChIInChI=1S/C17H29NO2/c1-6-17(3,4)15-7-9-16(10-8-15)20-14(2)13-18-11-12-19-5/h7-10,14,18H,6,11-13H2,1-5H3
InChIKeyBKLLOWIWFBNJSA-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.38
Rot. Bonds9

About N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine

N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine (PubChem CID 62571520) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
PubChem CID62571520
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
SMILESCCC(C)(C)c1ccc(OC(C)CNCCOC)cc1
InChIInChI=1S/C17H29NO2/c1-6-17(3,4)15-7-9-16(10-8-15)20-14(2)13-18-11-12-19-5/h7-10,14,18H,6,11-13H2,1-5H3
InChIKeyBKLLOWIWFBNJSA-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-(4-propylphenoxy)propan-1-amine
CID 62584394
2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 115493375
N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
CID 63505573
2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
CID 64802073
N-[(4-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 54798556
2-(4-bromo-3-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 83140097
N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496080
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63473433
4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid
CID 62214691
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)oxypropan-1-amine
CID 116793712
1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen
CID 158994420

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine (CID 62571520) is N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine is CCC(C)(C)c1ccc(OC(C)CNCCOC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine?
The InChIKey is BKLLOWIWFBNJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-17(3,4)15-7-9-16(10-8-15)20-14(2)13-18-11-12-19-5/h7-10,14,18H,6,11-13H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine?
N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine is sourced from PubChem (CID 62571520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).