3-(2-amino-4-chlorophenoxy)propylcarbamic acid

C10H13ClN2O3 — CID 18449141

IUPAC3-(2-amino-4-chlorophenoxy)propylcarbamic acid
SMILESNc1cc(Cl)ccc1OCCCNC(=O)O
InChIInChI=1S/C10H13ClN2O3/c11-7-2-3-9(8(12)6-7)16-5-1-4-13-10(14)15/h2-3,6,13H,1,4-5,12H2,(H,14,15)
InChIKeyUSCQFCKGZXHRCN-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.96
Rot. Bonds5

About 3-(2-amino-4-chlorophenoxy)propylcarbamic acid

3-(2-amino-4-chlorophenoxy)propylcarbamic acid (PubChem CID 18449141) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 3-(2-amino-4-chlorophenoxy)propylcarbamic acid.

Molecular Properties

Compound Name3-(2-amino-4-chlorophenoxy)propylcarbamic acid
PubChem CID18449141
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name3-(2-amino-4-chlorophenoxy)propylcarbamic acid
SMILESNc1cc(Cl)ccc1OCCCNC(=O)O
InChIInChI=1S/C10H13ClN2O3/c11-7-2-3-9(8(12)6-7)16-5-1-4-13-10(14)15/h2-3,6,13H,1,4-5,12H2,(H,14,15)
InChIKeyUSCQFCKGZXHRCN-UHFFFAOYSA-N
XLogP1.96
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
3-[[3-(2-amino-4-chlorophenoxy)-1-phenylpropoxy]carbonylamino]propyl 2,2,2-trifluoroacetate
CID 142782852
2-(3-acetamidopropoxy)-5-chlorobenzoic acid
CID 67057090
8-(2-amino-4-chlorophenoxy)-2-methyloctanoic acid;hydrochloride
CID 67314028
4-(2-amino-4-chlorophenoxy)-2-methylbutan-2-ol
CID 79360783
5-chloro-2-decoxyaniline
CID 55187694
3-[4-chloro-2-[(5-methylpyrazin-2-yl)carbamoylamino]phenoxy]propylcarbamic acid
CID 18449142
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748063
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
3-[6-amino-4-(3-chloro-4-fluoroanilino)quinazolin-7-yl]oxypropylcarbamic acid
CID 170429206
5-chloro-2-(2-methylsulfonylethoxy)aniline
CID 56828923

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-chlorophenoxy)propylcarbamic acid?
The IUPAC name of 3-(2-amino-4-chlorophenoxy)propylcarbamic acid (CID 18449141) is 3-(2-amino-4-chlorophenoxy)propylcarbamic acid.
What is the SMILES notation for 3-(2-amino-4-chlorophenoxy)propylcarbamic acid?
The canonical SMILES for 3-(2-amino-4-chlorophenoxy)propylcarbamic acid is Nc1cc(Cl)ccc1OCCCNC(=O)O.
What is the InChIKey of 3-(2-amino-4-chlorophenoxy)propylcarbamic acid?
The InChIKey is USCQFCKGZXHRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c11-7-2-3-9(8(12)6-7)16-5-1-4-13-10(14)15/h2-3,6,13H,1,4-5,12H2,(H,14,15).
What are the key properties of 3-(2-amino-4-chlorophenoxy)propylcarbamic acid?
3-(2-amino-4-chlorophenoxy)propylcarbamic acid has a molecular weight of 244.68 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-chlorophenoxy)propylcarbamic acid is sourced from PubChem (CID 18449141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).