3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea

C15H17N3O — CID 43246035

IUPAC3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
SMILESCN(C(=O)Nc1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-18(14-5-3-2-4-6-14)15(19)17-13-9-7-12(11-16)8-10-13/h2-10H,11,16H2,1H3,(H,17,19)
InChIKeyAYTMRDIYUBUDOI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.81
Rot. Bonds3

About 3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea

3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea (PubChem CID 43246035) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
PubChem CID43246035
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
SMILESCN(C(=O)Nc1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-18(14-5-3-2-4-6-14)15(19)17-13-9-7-12(11-16)8-10-13/h2-10H,11,16H2,1H3,(H,17,19)
InChIKeyAYTMRDIYUBUDOI-UHFFFAOYSA-N
XLogP2.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
3-[4-(aminomethyl)phenyl]-1,1-diethylurea
CID 43133027
2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid
CID 107340396
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide
CID 28755638
N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
CID 43275421
3-[4-(aminomethyl)phenyl]-1-(5-hydroxypentyl)-1-methylurea
CID 107201384
2-chloro-4-[[methyl(phenyl)carbamoyl]amino]benzoic acid
CID 61398621
2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide
CID 91393388
3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
CID 82507336
N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 110483778

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea?
The IUPAC name of 3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea (CID 43246035) is 3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea is CN(C(=O)Nc1ccc(CN)cc1)c1ccccc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea?
The InChIKey is AYTMRDIYUBUDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18(14-5-3-2-4-6-14)15(19)17-13-9-7-12(11-16)8-10-13/h2-10H,11,16H2,1H3,(H,17,19).
What are the key properties of 3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea?
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea has a molecular weight of 255.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea is sourced from PubChem (CID 43246035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).