1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine

C14H23NO2 — CID 43279392

IUPAC1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
SMILESCCCCOc1ccc(C(C)NC)cc1OC
InChIInChI=1S/C14H23NO2/c1-5-6-9-17-13-8-7-12(11(2)15-3)10-14(13)16-4/h7-8,10-11,15H,5-6,9H2,1-4H3
InChIKeyKJNOHSGSOVFPLX-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.15
Rot. Bonds7

About 1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine

1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine (PubChem CID 43279392) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
PubChem CID43279392
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
SMILESCCCCOc1ccc(C(C)NC)cc1OC
InChIInChI=1S/C14H23NO2/c1-5-6-9-17-13-8-7-12(11(2)15-3)10-14(13)16-4/h7-8,10-11,15H,5-6,9H2,1-4H3
InChIKeyKJNOHSGSOVFPLX-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.15
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-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216
6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702400
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
CID 60881368
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine
CID 61493746
bis(4-butoxy-3-methoxyphenyl)methanol
CID 71114416
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 119736427
1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
CID 55222844
methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
CID 60882110

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine (CID 43279392) is 1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine is CCCCOc1ccc(C(C)NC)cc1OC.
What is the InChIKey of 1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine?
The InChIKey is KJNOHSGSOVFPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-6-9-17-13-8-7-12(11(2)15-3)10-14(13)16-4/h7-8,10-11,15H,5-6,9H2,1-4H3.
What are the key properties of 1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine?
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine has a molecular weight of 237.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 43279392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).