1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine

C16H27NO2 — CID 55018121

IUPAC1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
SMILESCOc1cccc(C(OCCCC(C)C)C(C)N)c1
InChIInChI=1S/C16H27NO2/c1-12(2)7-6-10-19-16(13(3)17)14-8-5-9-15(11-14)18-4/h5,8-9,11-13,16H,6-7,10,17H2,1-4H3
InChIKeyDRIMDMJFVWVVTL-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.54
Rot. Bonds8

About 1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine

1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine (PubChem CID 55018121) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
PubChem CID55018121
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
SMILESCOc1cccc(C(OCCCC(C)C)C(C)N)c1
InChIInChI=1S/C16H27NO2/c1-12(2)7-6-10-19-16(13(3)17)14-8-5-9-15(11-14)18-4/h5,8-9,11-13,16H,6-7,10,17H2,1-4H3
InChIKeyDRIMDMJFVWVVTL-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-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine
CID 55017784
1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55015962
1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine
CID 55018409
1-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 55018073
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine
CID 55019946
N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine
CID 62111220
1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
CID 55019323
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine
CID 103401421
1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine
CID 66233118

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine (CID 55018121) is 1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine is COc1cccc(C(OCCCC(C)C)C(C)N)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine?
The InChIKey is DRIMDMJFVWVVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)7-6-10-19-16(13(3)17)14-8-5-9-15(11-14)18-4/h5,8-9,11-13,16H,6-7,10,17H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine?
1-(3-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-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine is sourced from PubChem (CID 55018121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).