1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride

C14H16ClN3O — CID 47003161

IUPAC1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
SMILESCl.NCc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H15N3O.ClH/c15-10-11-5-4-8-13(9-11)17-14(18)16-12-6-2-1-3-7-12;/h1-9H,10,15H2,(H2,16,17,18);1H
InChIKeyOFWJKTCVDJQABG-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.21
Rot. Bonds3

About 1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride

1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride (PubChem CID 47003161) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
PubChem CID47003161
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
SMILESCl.NCc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H15N3O.ClH/c15-10-11-5-4-8-13(9-11)17-14(18)16-12-6-2-1-3-7-12;/h1-9H,10,15H2,(H2,16,17,18);1H
InChIKeyOFWJKTCVDJQABG-UHFFFAOYSA-N
XLogP3.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
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-(3,4-dichlorophenyl)urea
CID 63254565
2-[3-(aminomethyl)phenyl]-N-phenylacetamide
CID 154574877
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155
1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 63254609
1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 43540324
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea
CID 143111767
(E)-4-[3-(aminomethyl)anilino]-4-oxobut-2-enoic acid
CID 155104878

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride (CID 47003161) is 1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride is Cl.NCc1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride?
The InChIKey is OFWJKTCVDJQABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.ClH/c15-10-11-5-4-8-13(9-11)17-14(18)16-12-6-2-1-3-7-12;/h1-9H,10,15H2,(H2,16,17,18);1H.
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride?
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride has a molecular weight of 277.76 g/mol, XLogP of 3.21, 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-phenylurea;hydrochloride is sourced from PubChem (CID 47003161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).