2-(4-methoxy-3-pentoxyphenyl)ethanamine

C14H23NO2 — CID 11096640

IUPAC2-(4-methoxy-3-pentoxyphenyl)ethanamine
SMILESCCCCCOc1cc(CCN)ccc1OC
InChIInChI=1S/C14H23NO2/c1-3-4-5-10-17-14-11-12(8-9-15)6-7-13(14)16-2/h6-7,11H,3-5,8-10,15H2,1-2H3
InChIKeyNAUQRKSUAVKQFW-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.77
Rot. Bonds8

About 2-(4-methoxy-3-pentoxyphenyl)ethanamine

2-(4-methoxy-3-pentoxyphenyl)ethanamine (PubChem CID 11096640) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(4-methoxy-3-pentoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-3-pentoxyphenyl)ethanamine
PubChem CID11096640
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(4-methoxy-3-pentoxyphenyl)ethanamine
SMILESCCCCCOc1cc(CCN)ccc1OC
InChIInChI=1S/C14H23NO2/c1-3-4-5-10-17-14-11-12(8-9-15)6-7-13(14)16-2/h6-7,11H,3-5,8-10,15H2,1-2H3
InChIKeyNAUQRKSUAVKQFW-UHFFFAOYSA-N
XLogP2.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.77
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

2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
3-(3,4-didecoxyphenyl)propan-1-amine
CID 170867431
2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106728330
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
4-(bromomethyl)-2-hexoxy-1-methoxybenzene
CID 43141756
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-pentoxyphenyl)ethanamine?
The IUPAC name of 2-(4-methoxy-3-pentoxyphenyl)ethanamine (CID 11096640) is 2-(4-methoxy-3-pentoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-methoxy-3-pentoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-methoxy-3-pentoxyphenyl)ethanamine is CCCCCOc1cc(CCN)ccc1OC.
What is the InChIKey of 2-(4-methoxy-3-pentoxyphenyl)ethanamine?
The InChIKey is NAUQRKSUAVKQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-4-5-10-17-14-11-12(8-9-15)6-7-13(14)16-2/h6-7,11H,3-5,8-10,15H2,1-2H3.
What are the key properties of 2-(4-methoxy-3-pentoxyphenyl)ethanamine?
2-(4-methoxy-3-pentoxyphenyl)ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-pentoxyphenyl)ethanamine is sourced from PubChem (CID 11096640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).