5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol

C15H26N2O2 — CID 107200460

IUPAC5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol
SMILESCOc1cccc(N(C)CCCCCO)c1C(C)N
InChIInChI=1S/C15H26N2O2/c1-12(16)15-13(8-7-9-14(15)19-3)17(2)10-5-4-6-11-18/h7-9,12,18H,4-6,10-11,16H2,1-3H3
InChIKeyGYDGURPGELAUJY-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.31
Rot. Bonds8

About 5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol

5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol (PubChem CID 107200460) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol
PubChem CID107200460
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol
SMILESCOc1cccc(N(C)CCCCCO)c1C(C)N
InChIInChI=1S/C15H26N2O2/c1-12(16)15-13(8-7-9-14(15)19-3)17(2)10-5-4-6-11-18/h7-9,12,18H,4-6,10-11,16H2,1-3H3
InChIKeyGYDGURPGELAUJY-UHFFFAOYSA-N
XLogP2.31
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 114230283
2-[(1S)-1-aminoethyl]-3-methoxy-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 113389035
2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol
CID 113388978
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 104552391
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol
CID 104861658
2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline
CID 113388975
2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline
CID 113388926
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
3-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]butanenitrile
CID 113389009
5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol
CID 107200509
4-(2,5-dimethoxy-N-methylanilino)butan-1-ol
CID 115217449
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol?
The IUPAC name of 5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol (CID 107200460) is 5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol.
What is the SMILES notation for 5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol?
The canonical SMILES for 5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol is COc1cccc(N(C)CCCCCO)c1C(C)N.
What is the InChIKey of 5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol?
The InChIKey is GYDGURPGELAUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(16)15-13(8-7-9-14(15)19-3)17(2)10-5-4-6-11-18/h7-9,12,18H,4-6,10-11,16H2,1-3H3.
What are the key properties of 5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol?
5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol is sourced from PubChem (CID 107200460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).