1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea

C15H17N3O — CID 43245991

IUPAC1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(CN)c2)cc1
InChIInChI=1S/C15H17N3O/c1-11-5-7-13(8-6-11)17-15(19)18-14-4-2-3-12(9-14)10-16/h2-9H,10,16H2,1H3,(H2,17,18,19)
InChIKeyQROVNWLPWLDXKV-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.10
Rot. Bonds3

About 1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea

1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea (PubChem CID 43245991) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
PubChem CID43245991
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(CN)c2)cc1
InChIInChI=1S/C15H17N3O/c1-11-5-7-13(8-6-11)17-15(19)18-14-4-2-3-12(9-14)10-16/h2-9H,10,16H2,1H3,(H2,17,18,19)
InChIKeyQROVNWLPWLDXKV-UHFFFAOYSA-N
XLogP3.10
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 63254609
1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
CID 63254565
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155
N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide
CID 60659461
1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea
CID 43437749
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
CID 63254522

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea (CID 43245991) is 1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cccc(CN)c2)cc1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea?
The InChIKey is QROVNWLPWLDXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-5-7-13(8-6-11)17-15(19)18-14-4-2-3-12(9-14)10-16/h2-9H,10,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea?
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea has a molecular weight of 255.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 43245991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).