[3-[4-(aminomethyl)phenyl]phenyl]urea

C14H15N3O — CID 141415129

IUPAC[3-[4-(aminomethyl)phenyl]phenyl]urea
SMILESNCc1ccc(-c2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C14H15N3O/c15-9-10-4-6-11(7-5-10)12-2-1-3-13(8-12)17-14(16)18/h1-8H,9,15H2,(H3,16,17,18)
InChIKeyQRRYBVFEGPBFHN-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.30
Rot. Bonds3

About [3-[4-(aminomethyl)phenyl]phenyl]urea

[3-[4-(aminomethyl)phenyl]phenyl]urea (PubChem CID 141415129) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is [3-[4-(aminomethyl)phenyl]phenyl]urea.

Molecular Properties

Compound Name[3-[4-(aminomethyl)phenyl]phenyl]urea
PubChem CID141415129
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name[3-[4-(aminomethyl)phenyl]phenyl]urea
SMILESNCc1ccc(-c2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C14H15N3O/c15-9-10-4-6-11(7-5-10)12-2-1-3-13(8-12)17-14(16)18/h1-8H,9,15H2,(H3,16,17,18)
InChIKeyQRRYBVFEGPBFHN-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-formylphenyl)phenyl]urea
CID 141415136
tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate
CID 59206790
(2S)-3-[4-[3-(carbamoylamino)phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 59901422
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide
CID 11396784
3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 107811064
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
(3-phenylphenyl)carbamic acid
CID 611602
3-[4-(aminomethyl)phenyl]phenol
CID 82038924
[3-(chloroamino)phenyl]urea
CID 155328094
[3-(methylamino)phenyl]urea
CID 23558981
N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
CID 34110855

Frequently Asked Questions

What is the IUPAC name of [3-[4-(aminomethyl)phenyl]phenyl]urea?
The IUPAC name of [3-[4-(aminomethyl)phenyl]phenyl]urea (CID 141415129) is [3-[4-(aminomethyl)phenyl]phenyl]urea.
What is the SMILES notation for [3-[4-(aminomethyl)phenyl]phenyl]urea?
The canonical SMILES for [3-[4-(aminomethyl)phenyl]phenyl]urea is NCc1ccc(-c2cccc(NC(N)=O)c2)cc1.
What is the InChIKey of [3-[4-(aminomethyl)phenyl]phenyl]urea?
The InChIKey is QRRYBVFEGPBFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-9-10-4-6-11(7-5-10)12-2-1-3-13(8-12)17-14(16)18/h1-8H,9,15H2,(H3,16,17,18).
What are the key properties of [3-[4-(aminomethyl)phenyl]phenyl]urea?
[3-[4-(aminomethyl)phenyl]phenyl]urea has a molecular weight of 241.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(aminomethyl)phenyl]phenyl]urea is sourced from PubChem (CID 141415129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).