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

C15H16ClN3O — CID 63254609

IUPAC1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(CN)c2)cc1Cl
InChIInChI=1S/C15H16ClN3O/c1-10-5-6-13(8-14(10)16)19-15(20)18-12-4-2-3-11(7-12)9-17/h2-8H,9,17H2,1H3,(H2,18,19,20)
InChIKeyLTENXFDJIDCYTN-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.75
Rot. Bonds3

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

1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea (PubChem CID 63254609) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea
PubChem CID63254609
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(CN)c2)cc1Cl
InChIInChI=1S/C15H16ClN3O/c1-10-5-6-13(8-14(10)16)19-15(20)18-12-4-2-3-11(7-12)9-17/h2-8H,9,17H2,1H3,(H2,18,19,20)
InChIKeyLTENXFDJIDCYTN-UHFFFAOYSA-N
XLogP3.75
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
CID 63254565
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
CID 63254522
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea (CID 63254609) is 1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cccc(CN)c2)cc1Cl.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is LTENXFDJIDCYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-5-6-13(8-14(10)16)19-15(20)18-12-4-2-3-11(7-12)9-17/h2-8H,9,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea?
1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 289.77 g/mol, XLogP of 3.75, 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-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 63254609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).