N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine

C18H31NO — CID 63475005

IUPACN-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)C)OCCCC(C)C)c1
InChIInChI=1S/C18H31NO/c1-14(2)8-7-11-20-18(13-19-15(3)4)17-10-6-9-16(5)12-17/h6,9-10,12,14-15,18-19H,7-8,11,13H2,1-5H3
InChIKeyHIBXFPLCURGNSD-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.49
Rot. Bonds9

About N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine

N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine (PubChem CID 63475005) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
PubChem CID63475005
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)C)OCCCC(C)C)c1
InChIInChI=1S/C18H31NO/c1-14(2)8-7-11-20-18(13-19-15(3)4)17-10-6-9-16(5)12-17/h6,9-10,12,14-15,18-19H,7-8,11,13H2,1-5H3
InChIKeyHIBXFPLCURGNSD-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.49
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-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 62106007
N-[2-(3-methylphenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108473
1-[2-bromo-1-(4-methylpentoxy)ethyl]-3-methylbenzene
CID 63474054
N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 103285192
N-[2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 55036222
N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine
CID 55036236
N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62106839
2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63473544
N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106449148
N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine
CID 62383877
N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 62452895
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine (CID 63475005) is N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine is Cc1cccc(C(CNC(C)C)OCCCC(C)C)c1.
What is the InChIKey of N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
The InChIKey is HIBXFPLCURGNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(2)8-7-11-20-18(13-19-15(3)4)17-10-6-9-16(5)12-17/h6,9-10,12,14-15,18-19H,7-8,11,13H2,1-5H3.
What are the key properties of N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 63475005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).