1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea

C16H19N3O2 — CID 61310773

IUPAC1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccccc2C(C)N)c1
InChIInChI=1S/C16H19N3O2/c1-11(17)14-8-3-4-9-15(14)19-16(20)18-12-6-5-7-13(10-12)21-2/h3-11H,17H2,1-2H3,(H2,18,19,20)
InChIKeyYVHPBHAXOUEQDA-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea

1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 61310773) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea
PubChem CID61310773
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccccc2C(C)N)c1
InChIInChI=1S/C16H19N3O2/c1-11(17)14-8-3-4-9-15(14)19-16(20)18-12-6-5-7-13(10-12)21-2/h3-11H,17H2,1-2H3,(H2,18,19,20)
InChIKeyYVHPBHAXOUEQDA-UHFFFAOYSA-N
XLogP3.36
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467
1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea
CID 43437759
2-[(3-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 100745717
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331
1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 107698021
1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 103480109
1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
CID 63256964
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-(3-methoxyphenyl)-3-[2-(piperidine-1-carbonyl)phenyl]urea
CID 99129473

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea (CID 61310773) is 1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccccc2C(C)N)c1.
What is the InChIKey of 1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is YVHPBHAXOUEQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(17)14-8-3-4-9-15(14)19-16(20)18-12-6-5-7-13(10-12)21-2/h3-11H,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea?
1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 285.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 61310773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).