ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate

C16H18FN3O2 — CID 129011684

IUPACethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccccc2F)cc1N
InChIInChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-12(9-14(15)18)19-10-11-5-3-4-6-13(11)17/h3-9,19H,2,10,18H2,1H3,(H,20,21)
InChIKeyRHILEWLNIGFOJX-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.59
Rot. Bonds5

About ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate

ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate (PubChem CID 129011684) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate
PubChem CID129011684
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Nameethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccccc2F)cc1N
InChIInChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-12(9-14(15)18)19-10-11-5-3-4-6-13(11)17/h3-9,19H,2,10,18H2,1H3,(H,20,21)
InChIKeyRHILEWLNIGFOJX-UHFFFAOYSA-N
XLogP3.59
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;hydrochloride
CID 10020110
ethyl N-[2-amino-4-(1-benzothiophen-3-ylmethylamino)phenyl]carbamate;dihydrochloride
CID 69269790
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;phosphoric acid
CID 72548935
ethyl N-[2-amino-4-[(2-fluoroanilino)methyl]phenyl]carbamate
CID 11722512
ethyl N-[2-amino-4-[(4-sulfanylphenyl)methylamino]phenyl]carbamate
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ethyl N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 10269475
4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine
CID 106750257
ethyl N-[2-amino-4-[(3-methoxy-4-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 10042590
ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 43703912
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
ethyl N-[4-amino-5-(benzylamino)-2-fluorophenyl]carbamate
CID 134112734
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate (CID 129011684) is ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccccc2F)cc1N.
What is the InChIKey of ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate?
The InChIKey is RHILEWLNIGFOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-12(9-14(15)18)19-10-11-5-3-4-6-13(11)17/h3-9,19H,2,10,18H2,1H3,(H,20,21).
What are the key properties of ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate?
ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate has a molecular weight of 303.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 129011684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).