1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol

C13H22N2O2 — CID 4721134

IUPAC1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
SMILESCOc1cccc(CNCCNCC(C)O)c1
InChIInChI=1S/C13H22N2O2/c1-11(16)9-14-6-7-15-10-12-4-3-5-13(8-12)17-2/h3-5,8,11,14-16H,6-7,9-10H2,1-2H3
InChIKeyIHCGNMPHWXIIIU-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.76
Rot. Bonds8

About 1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol

1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol (PubChem CID 4721134) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
PubChem CID4721134
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
SMILESCOc1cccc(CNCCNCC(C)O)c1
InChIInChI=1S/C13H22N2O2/c1-11(16)9-14-6-7-15-10-12-4-3-5-13(8-12)17-2/h3-5,8,11,14-16H,6-7,9-10H2,1-2H3
InChIKeyIHCGNMPHWXIIIU-UHFFFAOYSA-N
XLogP0.76
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
CID 4719833
1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295165
3-chloro-N-[(3-methoxyphenyl)methyl]butan-1-amine
CID 65024523
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
3-[(3-methoxyphenyl)methylamino]propane-1-thiol
CID 115224939
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol
CID 54849301
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol (CID 4721134) is 1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol is COc1cccc(CNCCNCC(C)O)c1.
What is the InChIKey of 1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol?
The InChIKey is IHCGNMPHWXIIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(16)9-14-6-7-15-10-12-4-3-5-13(8-12)17-2/h3-5,8,11,14-16H,6-7,9-10H2,1-2H3.
What are the key properties of 1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol?
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol is sourced from PubChem (CID 4721134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).