[3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid

C15H16N2O3 — CID 66896866

IUPAC[3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid
SMILESNc1cccc(COCc2cccc(NC(=O)O)c2)c1
InChIInChI=1S/C15H16N2O3/c16-13-5-1-3-11(7-13)9-20-10-12-4-2-6-14(8-12)17-15(18)19/h1-8,17H,9-10,16H2,(H,18,19)
InChIKeyYXZZPEPLTNEGFS-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.08
Rot. Bonds5

About [3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid

[3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid (PubChem CID 66896866) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid
PubChem CID66896866
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid
SMILESNc1cccc(COCc2cccc(NC(=O)O)c2)c1
InChIInChI=1S/C15H16N2O3/c16-13-5-1-3-11(7-13)9-20-10-12-4-2-6-14(8-12)17-15(18)19/h1-8,17H,9-10,16H2,(H,18,19)
InChIKeyYXZZPEPLTNEGFS-UHFFFAOYSA-N
XLogP3.08
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid
CID 66880835
N-(3-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24701706
3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide
CID 119754343
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
aniline;phenylcarbamic acid
CID 173402321
(3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate
CID 10791831
(3-aminophenyl)methanol;ethyl carbonochloridate;ethyl N-[3-(hydroxymethyl)phenyl]carbamate
CID 158579052
phenylmethoxymethyl 2-(3-aminophenyl)acetate
CID 102940348
5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 120626212
[3-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]carbamic acid
CID 138585746
benzyl N-[3-(2-hydroxypropoxymethyl)phenyl]carbamate
CID 101435911
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081

Frequently Asked Questions

What is the IUPAC name of [3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid?
The IUPAC name of [3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid (CID 66896866) is [3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid.
What is the SMILES notation for [3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid?
The canonical SMILES for [3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid is Nc1cccc(COCc2cccc(NC(=O)O)c2)c1.
What is the InChIKey of [3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid?
The InChIKey is YXZZPEPLTNEGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-13-5-1-3-11(7-13)9-20-10-12-4-2-6-14(8-12)17-15(18)19/h1-8,17H,9-10,16H2,(H,18,19).
What are the key properties of [3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid?
[3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid has a molecular weight of 272.30 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid is sourced from PubChem (CID 66896866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).