[4-[(2-aminophenyl)methyl]phenyl]urea

C14H15N3O — CID 139902177

IUPAC[4-[(2-aminophenyl)methyl]phenyl]urea
SMILESNC(=O)Nc1ccc(Cc2ccccc2N)cc1
InChIInChI=1S/C14H15N3O/c15-13-4-2-1-3-11(13)9-10-5-7-12(8-6-10)17-14(16)18/h1-8H,9,15H2,(H3,16,17,18)
InChIKeyKQOGZJLSPYLNKJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.35
Rot. Bonds3

About [4-[(2-aminophenyl)methyl]phenyl]urea

[4-[(2-aminophenyl)methyl]phenyl]urea (PubChem CID 139902177) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is [4-[(2-aminophenyl)methyl]phenyl]urea.

Molecular Properties

Compound Name[4-[(2-aminophenyl)methyl]phenyl]urea
PubChem CID139902177
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name[4-[(2-aminophenyl)methyl]phenyl]urea
SMILESNC(=O)Nc1ccc(Cc2ccccc2N)cc1
InChIInChI=1S/C14H15N3O/c15-13-4-2-1-3-11(13)9-10-5-7-12(8-6-10)17-14(16)18/h1-8H,9,15H2,(H3,16,17,18)
InChIKeyKQOGZJLSPYLNKJ-UHFFFAOYSA-N
XLogP2.35
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
4-[(2-aminophenyl)methyl]benzoic acid
CID 22360767
acetic acid;2-benzylaniline
CID 174872932
2-(2-benzylphenoxy)-N-[4-(carbamoylamino)phenyl]acetamide
CID 33152514
2-[(4-ethylphenyl)methyl]aniline
CID 11572028
2-[(4-chlorophenyl)methyl]aniline
CID 18412139
[4-(benzylamino)phenyl]urea
CID 43744943
methanamine;2-[(4-phenylphenyl)methyl]aniline
CID 144956661
[4-(2-chloroethyl)phenyl]urea
CID 70156688
N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119701163
molecular hydrogen;phenylurea
CID 143657584
ethanol;phenylurea
CID 158950745

Frequently Asked Questions

What is the IUPAC name of [4-[(2-aminophenyl)methyl]phenyl]urea?
The IUPAC name of [4-[(2-aminophenyl)methyl]phenyl]urea (CID 139902177) is [4-[(2-aminophenyl)methyl]phenyl]urea.
What is the SMILES notation for [4-[(2-aminophenyl)methyl]phenyl]urea?
The canonical SMILES for [4-[(2-aminophenyl)methyl]phenyl]urea is NC(=O)Nc1ccc(Cc2ccccc2N)cc1.
What is the InChIKey of [4-[(2-aminophenyl)methyl]phenyl]urea?
The InChIKey is KQOGZJLSPYLNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-13-4-2-1-3-11(13)9-10-5-7-12(8-6-10)17-14(16)18/h1-8H,9,15H2,(H3,16,17,18).
What are the key properties of [4-[(2-aminophenyl)methyl]phenyl]urea?
[4-[(2-aminophenyl)methyl]phenyl]urea has a molecular weight of 241.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-aminophenyl)methyl]phenyl]urea is sourced from PubChem (CID 139902177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).