1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea

C17H21N3O — CID 106900402

IUPAC1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea
SMILESCCc1ccc(CNC(=O)Nc2cccc(CN)c2)cc1
InChIInChI=1S/C17H21N3O/c1-2-13-6-8-14(9-7-13)12-19-17(21)20-16-5-3-4-15(10-16)11-18/h3-10H,2,11-12,18H2,1H3,(H2,19,20,21)
InChIKeyULBXKADXFMMXIH-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.03
Rot. Bonds5

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

1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea (PubChem CID 106900402) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea
PubChem CID106900402
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea
SMILESCCc1ccc(CNC(=O)Nc2cccc(CN)c2)cc1
InChIInChI=1S/C17H21N3O/c1-2-13-6-8-14(9-7-13)12-19-17(21)20-16-5-3-4-15(10-16)11-18/h3-10H,2,11-12,18H2,1H3,(H2,19,20,21)
InChIKeyULBXKADXFMMXIH-UHFFFAOYSA-N
XLogP3.03
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
1-[[3-(aminomethyl)phenyl]methyl]-3-(3-bromophenyl)urea
CID 108870136
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383
1-[3-(3-aminopropyl)phenyl]-3-benzylurea
CID 107654561
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide
CID 151709013
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
1-[3-(aminomethyl)phenyl]-3-(2-methylbutan-2-yl)urea
CID 43133022

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea (CID 106900402) is 1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea is CCc1ccc(CNC(=O)Nc2cccc(CN)c2)cc1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea?
The InChIKey is ULBXKADXFMMXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-13-6-8-14(9-7-13)12-19-17(21)20-16-5-3-4-15(10-16)11-18/h3-10H,2,11-12,18H2,1H3,(H2,19,20,21).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea?
1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea has a molecular weight of 283.38 g/mol, XLogP of 3.03, 5 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-ethylphenyl)methyl]urea is sourced from PubChem (CID 106900402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).