N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine

C16H27NO2 — CID 43279483

IUPACN-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCCOc1ccc(C(C)NCCC)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-7-11-19-15-9-8-14(12-16(15)18-4)13(3)17-10-6-2/h8-9,12-13,17H,5-7,10-11H2,1-4H3
InChIKeyXWFUULRFYYRNTG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.93
Rot. Bonds9

About N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine

N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 43279483) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
PubChem CID43279483
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCCOc1ccc(C(C)NCCC)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-7-11-19-15-9-8-14(12-16(15)18-4)13(3)17-10-6-2/h8-9,12-13,17H,5-7,10-11H2,1-4H3
InChIKeyXWFUULRFYYRNTG-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.93
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-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 60883043
N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine
CID 43279496
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
bis(4-butoxy-3-methoxyphenyl)methanol
CID 71114416
N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine
CID 43279451
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
CID 43205840
1-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 111121657
N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 63190643

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine (CID 43279483) is N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine is CCCCOc1ccc(C(C)NCCC)cc1OC.
What is the InChIKey of N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is XWFUULRFYYRNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-7-11-19-15-9-8-14(12-16(15)18-4)13(3)17-10-6-2/h8-9,12-13,17H,5-7,10-11H2,1-4H3.
What are the key properties of N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine?
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43279483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).