3-(3,4-diaminophenoxy)propyl carbamate

C10H15N3O3 — CID 138618165

IUPAC3-(3,4-diaminophenoxy)propyl carbamate
SMILESNC(=O)OCCCOc1ccc(N)c(N)c1
InChIInChI=1S/C10H15N3O3/c11-8-3-2-7(6-9(8)12)15-4-1-5-16-10(13)14/h2-3,6H,1,4-5,11-12H2,(H2,13,14)
InChIKeyMAEBIRUJZNTDBL-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.72
Rot. Bonds5

About 3-(3,4-diaminophenoxy)propyl carbamate

3-(3,4-diaminophenoxy)propyl carbamate (PubChem CID 138618165) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(3,4-diaminophenoxy)propyl carbamate.

Molecular Properties

Compound Name3-(3,4-diaminophenoxy)propyl carbamate
PubChem CID138618165
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(3,4-diaminophenoxy)propyl carbamate
SMILESNC(=O)OCCCOc1ccc(N)c(N)c1
InChIInChI=1S/C10H15N3O3/c11-8-3-2-7(6-9(8)12)15-4-1-5-16-10(13)14/h2-3,6H,1,4-5,11-12H2,(H2,13,14)
InChIKeyMAEBIRUJZNTDBL-UHFFFAOYSA-N
XLogP0.72
TPSA113.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenoxy)propyl carbamate
CID 154235028
4-heptoxybenzene-1,2-diamine
CID 54795786
4-(4,4,4-trifluorobutoxy)benzene-1,2-diamine
CID 106748542
2-amino-5-(3-hydroxypropoxy)benzamide
CID 61307251
3-(4-amino-3-hydroxyphenoxy)propyl 2-methylprop-2-enoate
CID 143071517
5-[3-(3,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097173
2-amino-5-(2-butoxyethoxy)benzamide
CID 61307409
2-amino-5-heptoxybenzoic acid
CID 54888058
2-amino-4-(3-oxopropoxy)benzamide
CID 142889118
[amino-[4-[6-[4-[amino(azaniumylidene)methyl]phenoxy]hexoxy]phenyl]methylidene]azanium
CID 51381298
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
2-amino-5-propoxybenzoic acid
CID 12719187

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diaminophenoxy)propyl carbamate?
The IUPAC name of 3-(3,4-diaminophenoxy)propyl carbamate (CID 138618165) is 3-(3,4-diaminophenoxy)propyl carbamate.
What is the SMILES notation for 3-(3,4-diaminophenoxy)propyl carbamate?
The canonical SMILES for 3-(3,4-diaminophenoxy)propyl carbamate is NC(=O)OCCCOc1ccc(N)c(N)c1.
What is the InChIKey of 3-(3,4-diaminophenoxy)propyl carbamate?
The InChIKey is MAEBIRUJZNTDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-8-3-2-7(6-9(8)12)15-4-1-5-16-10(13)14/h2-3,6H,1,4-5,11-12H2,(H2,13,14).
What are the key properties of 3-(3,4-diaminophenoxy)propyl carbamate?
3-(3,4-diaminophenoxy)propyl carbamate has a molecular weight of 225.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diaminophenoxy)propyl carbamate is sourced from PubChem (CID 138618165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).