1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol

C15H25N3O2 — CID 82135890

IUPAC1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
SMILESCOc1ccc(C(O)CCN2CCCNCC2)cc1N
InChIInChI=1S/C15H25N3O2/c1-20-15-4-3-12(11-13(15)16)14(19)5-9-18-8-2-6-17-7-10-18/h3-4,11,14,17,19H,2,5-10,16H2,1H3
InChIKeyUIILMFMWZIUWLI-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.00
Rot. Bonds5

About 1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol

1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol (PubChem CID 82135890) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
PubChem CID82135890
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
SMILESCOc1ccc(C(O)CCN2CCCNCC2)cc1N
InChIInChI=1S/C15H25N3O2/c1-20-15-4-3-12(11-13(15)16)14(19)5-9-18-8-2-6-17-7-10-18/h3-4,11,14,17,19H,2,5-10,16H2,1H3
InChIKeyUIILMFMWZIUWLI-UHFFFAOYSA-N
XLogP1.00
TPSA70.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-ethoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135912
1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol
CID 82135922
1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877
3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol
CID 82074067
1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol
CID 112513617
1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol
CID 112513189
1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82551176
1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol
CID 82287228

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol (CID 82135890) is 1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol is COc1ccc(C(O)CCN2CCCNCC2)cc1N.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol?
The InChIKey is UIILMFMWZIUWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-20-15-4-3-12(11-13(15)16)14(19)5-9-18-8-2-6-17-7-10-18/h3-4,11,14,17,19H,2,5-10,16H2,1H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol?
1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol is sourced from PubChem (CID 82135890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).