1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine

C16H27NO2 — CID 55015962

IUPAC1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
SMILESCOc1ccc(C(OCCCC(C)C)C(C)N)cc1
InChIInChI=1S/C16H27NO2/c1-12(2)6-5-11-19-16(13(3)17)14-7-9-15(18-4)10-8-14/h7-10,12-13,16H,5-6,11,17H2,1-4H3
InChIKeyIRMHVYMDWQGQED-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.54
Rot. Bonds8

About 1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine

1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine (PubChem CID 55015962) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
PubChem CID55015962
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
SMILESCOc1ccc(C(OCCCC(C)C)C(C)N)cc1
InChIInChI=1S/C16H27NO2/c1-12(2)6-5-11-19-16(13(3)17)14-7-9-15(18-4)10-8-14/h7-10,12-13,16H,5-6,11,17H2,1-4H3
InChIKeyIRMHVYMDWQGQED-UHFFFAOYSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.54
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

1-hexoxy-1-(4-methoxyphenyl)propan-2-amine
CID 55016012
1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018121
1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine
CID 43127754
1-(4-fluorophenyl)-1-(4-methylpentoxy)butan-2-amine
CID 55015028
1-(4-methoxyphenyl)-1-propoxybutan-2-amine
CID 55016107
1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018505
1-[1-(3-chloropropoxy)ethyl]-4-methoxybenzene
CID 86112435
1-[(1S)-1-butoxyethyl]-4-methoxybenzene
CID 102525034
1-[(1S,4R)-1,4-dichloro-4-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 125465408
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
1-(4-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401203

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine (CID 55015962) is 1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine is COc1ccc(C(OCCCC(C)C)C(C)N)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine?
The InChIKey is IRMHVYMDWQGQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)6-5-11-19-16(13(3)17)14-7-9-15(18-4)10-8-14/h7-10,12-13,16H,5-6,11,17H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine?
1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine is sourced from PubChem (CID 55015962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).