N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine

C13H21NO2 — CID 39245762

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
SMILESCCCNCCc1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO2/c1-4-8-14-9-7-11-10-12(15-2)5-6-13(11)16-3/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyNBRBAASYQVVTDE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.25
Rot. Bonds7

About N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine

N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine (PubChem CID 39245762) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
PubChem CID39245762
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
SMILESCCCNCCc1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO2/c1-4-8-14-9-7-11-10-12(15-2)5-6-13(11)16-3/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyNBRBAASYQVVTDE-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.25
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

N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227129
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
CID 115217746
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-2-one
CID 115235884
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
CID 115236656
ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate
CID 115257468
5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 65304513
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
N-[2-(3-bromo-2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 103523799
3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134910
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine (CID 39245762) is N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine is CCCNCCc1cc(OC)ccc1OC.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine?
The InChIKey is NBRBAASYQVVTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-8-14-9-7-11-10-12(15-2)5-6-13(11)16-3/h5-6,10,14H,4,7-9H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine?
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 39245762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).