1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol

C13H22N2O2 — CID 82257433

IUPAC1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol
SMILESCOc1ccc(CC(C)NCC(C)O)cc1N
InChIInChI=1S/C13H22N2O2/c1-9(15-8-10(2)16)6-11-4-5-13(17-3)12(14)7-11/h4-5,7,9-10,15-16H,6,8,14H2,1-3H3
InChIKeyLSUPDZXIECSKMY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.18
Rot. Bonds6

About 1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol

1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol (PubChem CID 82257433) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol
PubChem CID82257433
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol
SMILESCOc1ccc(CC(C)NCC(C)O)cc1N
InChIInChI=1S/C13H22N2O2/c1-9(15-8-10(2)16)6-11-4-5-13(17-3)12(14)7-11/h4-5,7,9-10,15-16H,6,8,14H2,1-3H3
InChIKeyLSUPDZXIECSKMY-UHFFFAOYSA-N
XLogP1.18
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
CID 82257431
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline
CID 82257458
2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257442
2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline
CID 82257453
2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
CID 82257451
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
CID 82257445
2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline
CID 82257448
1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 62333055
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70002975
3-[2-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]ethyl]-1,3-thiazolidine-2,4-dione
CID 82257492

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol (CID 82257433) is 1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol is COc1ccc(CC(C)NCC(C)O)cc1N.
What is the InChIKey of 1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol?
The InChIKey is LSUPDZXIECSKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(15-8-10(2)16)6-11-4-5-13(17-3)12(14)7-11/h4-5,7,9-10,15-16H,6,8,14H2,1-3H3.
What are the key properties of 1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol?
1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 82257433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).