[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea

C17H19N3O — CID 93294306

IUPAC[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea
SMILESNC(=O)Nc1ccc(N[C@@H]2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H19N3O/c18-17(21)20-15-9-7-14(8-10-15)19-16-6-5-12-3-1-2-4-13(12)11-16/h1-4,7-10,16,19H,5-6,11H2,(H3,18,20,21)/t16-/m1/s1
InChIKeyMBGJTGPOQCKXJO-MRXNPFEDSA-N
MW281.36 g/mol
LogP3.15
Rot. Bonds3

About [4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea

[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea (PubChem CID 93294306) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea.

Molecular Properties

Compound Name[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea
PubChem CID93294306
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea
SMILESNC(=O)Nc1ccc(N[C@@H]2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H19N3O/c18-17(21)20-15-9-7-14(8-10-15)19-16-6-5-12-3-1-2-4-13(12)11-16/h1-4,7-10,16,19H,5-6,11H2,(H3,18,20,21)/t16-/m1/s1
InChIKeyMBGJTGPOQCKXJO-MRXNPFEDSA-N
XLogP3.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(cyclopropylamino)phenyl]urea
CID 103439135
2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide
CID 43783999
2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid
CID 62317637
[4-(cyclopentylamino)phenyl]urea
CID 43744886
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43759178
2-[4-(1,2,3,4-tetrahydronaphthalen-2-ylamino)phenyl]ethanol
CID 61236425
4-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclohexane-1-carboxamide
CID 43791690
methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate
CID 43774418
5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine
CID 112647668
N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15078242
[4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea
CID 64744825
6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol
CID 23635616

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea?
The IUPAC name of [4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea (CID 93294306) is [4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea.
What is the SMILES notation for [4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea?
The canonical SMILES for [4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea is NC(=O)Nc1ccc(N[C@@H]2CCc3ccccc3C2)cc1.
What is the InChIKey of [4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea?
The InChIKey is MBGJTGPOQCKXJO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N3O/c18-17(21)20-15-9-7-14(8-10-15)19-16-6-5-12-3-1-2-4-13(12)11-16/h1-4,7-10,16,19H,5-6,11H2,(H3,18,20,21)/t16-/m1/s1.
What are the key properties of [4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea?
[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea has a molecular weight of 281.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea is sourced from PubChem (CID 93294306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).