1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol

C13H22N2O2 — CID 62273853

IUPAC1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCCCN
InChIInChI=1S/C13H22N2O2/c1-11-5-2-3-6-13(11)17-10-12(16)9-15-8-4-7-14/h2-3,5-6,12,15-16H,4,7-10,14H2,1H3
InChIKeyVTZKVZQKAMMMHQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.67
Rot. Bonds8

About 1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol

1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol (PubChem CID 62273853) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
PubChem CID62273853
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCCCN
InChIInChI=1S/C13H22N2O2/c1-11-5-2-3-6-13(11)17-10-12(16)9-15-8-4-7-14/h2-3,5-6,12,15-16H,4,7-10,14H2,1H3
InChIKeyVTZKVZQKAMMMHQ-UHFFFAOYSA-N
XLogP0.67
TPSA67.51 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 ≤ 50.67
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-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 90672311
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 62843457
6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
CID 23349126
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol (CID 62273853) is 1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CNCCCN.
What is the InChIKey of 1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is VTZKVZQKAMMMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11-5-2-3-6-13(11)17-10-12(16)9-15-8-4-7-14/h2-3,5-6,12,15-16H,4,7-10,14H2,1H3.
What are the key properties of 1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol?
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 62273853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).