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

C18H31NO — CID 103285192

IUPACN-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCCCC(C)COC(CNC(C)C)c1cccc(C)c1
InChIInChI=1S/C18H31NO/c1-6-8-16(5)13-20-18(12-19-14(2)3)17-10-7-9-15(4)11-17/h7,9-11,14,16,18-19H,6,8,12-13H2,1-5H3
InChIKeyXEHOINMYDIBCPD-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.49
Rot. Bonds9

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

N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine (PubChem CID 103285192) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
PubChem CID103285192
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCCCC(C)COC(CNC(C)C)c1cccc(C)c1
InChIInChI=1S/C18H31NO/c1-6-8-16(5)13-20-18(12-19-14(2)3)17-10-7-9-15(4)11-17/h7,9-11,14,16,18-19H,6,8,12-13H2,1-5H3
InChIKeyXEHOINMYDIBCPD-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

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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
N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63475005
N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62106839
N-[2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 55036222
N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine
CID 62383877
2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine
CID 103285722
N-[2-(2-methylpentoxy)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 103285227
2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 82006484
N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 62452895
3-methyl-N-(2-methylpentyl)aniline
CID 43103474
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine (CID 103285192) is N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine is CCCC(C)COC(CNC(C)C)c1cccc(C)c1.
What is the InChIKey of N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
The InChIKey is XEHOINMYDIBCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-8-16(5)13-20-18(12-19-14(2)3)17-10-7-9-15(4)11-17/h7,9-11,14,16,18-19H,6,8,12-13H2,1-5H3.
What are the key properties of N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
N-[2-(2-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-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 103285192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).