(4-aminophenyl)-benzylcarbamic acid

C14H14N2O2 — CID 69046621

IUPAC(4-aminophenyl)-benzylcarbamic acid
SMILESNc1ccc(N(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C14H14N2O2/c15-12-6-8-13(9-7-12)16(14(17)18)10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H,17,18)
InChIKeyPXKSLCCRNKKLCC-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.95
Rot. Bonds3

About (4-aminophenyl)-benzylcarbamic acid

(4-aminophenyl)-benzylcarbamic acid (PubChem CID 69046621) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (4-aminophenyl)-benzylcarbamic acid.

Molecular Properties

Compound Name(4-aminophenyl)-benzylcarbamic acid
PubChem CID69046621
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(4-aminophenyl)-benzylcarbamic acid
SMILESNc1ccc(N(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C14H14N2O2/c15-12-6-8-13(9-7-12)16(14(17)18)10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H,17,18)
InChIKeyPXKSLCCRNKKLCC-UHFFFAOYSA-N
XLogP2.95
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-1-benzylurea
CID 154248103
2-(4-amino-N-phenylmethoxycarbonylanilino)acetic acid
CID 18919523
[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
CID 134584304
N-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90105203
benzyl-(3-hydroxyphenyl)carbamic acid
CID 71093078
2-(2-aminophenyl)-N-benzyl-N-phenylacetamide
CID 28712694
pyridin-4-yl(pyridin-4-ylmethyl)carbamic acid
CID 66997302
benzyl-(2-fluorophenyl)carbamic acid
CID 67213416
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
N-benzyl-N-(4-chlorophenyl)carbamate
CID 57352330
(4-aminophenyl)-icosylcarbamic acid
CID 57279079
hydroxymethyl(phenyl)carbamic acid
CID 69165687

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-benzylcarbamic acid?
The IUPAC name of (4-aminophenyl)-benzylcarbamic acid (CID 69046621) is (4-aminophenyl)-benzylcarbamic acid.
What is the SMILES notation for (4-aminophenyl)-benzylcarbamic acid?
The canonical SMILES for (4-aminophenyl)-benzylcarbamic acid is Nc1ccc(N(Cc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (4-aminophenyl)-benzylcarbamic acid?
The InChIKey is PXKSLCCRNKKLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-12-6-8-13(9-7-12)16(14(17)18)10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H,17,18).
What are the key properties of (4-aminophenyl)-benzylcarbamic acid?
(4-aminophenyl)-benzylcarbamic acid has a molecular weight of 242.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-benzylcarbamic acid is sourced from PubChem (CID 69046621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).