1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea

C15H25N3O — CID 61341307

IUPAC1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea
SMILESCC(C)CC(C)NC(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C15H25N3O/c1-10(2)8-11(3)17-15(19)18-14-7-5-6-13(9-14)12(4)16/h5-7,9-12H,8,16H2,1-4H3,(H2,17,18,19)
InChIKeyTWLSGFCBBLVWRN-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.26
Rot. Bonds5

About 1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea

1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea (PubChem CID 61341307) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea
PubChem CID61341307
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea
SMILESCC(C)CC(C)NC(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C15H25N3O/c1-10(2)8-11(3)17-15(19)18-14-7-5-6-13(9-14)12(4)16/h5-7,9-12H,8,16H2,1-4H3,(H2,17,18,19)
InChIKeyTWLSGFCBBLVWRN-UHFFFAOYSA-N
XLogP3.26
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-(6-methylheptan-2-yl)urea
CID 61471630
1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 61340581
2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide
CID 61341683
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
1-[3-(1-aminoethyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 61342211
1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea
CID 62844444
1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
CID 61340896
1-[3-(1-aminoethyl)phenyl]-3-(2,3,3-trimethylbutyl)urea
CID 83147014
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea
CID 61342222
methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate
CID 61341694
1-[3-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340525

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea (CID 61341307) is 1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea is CC(C)CC(C)NC(=O)Nc1cccc(C(C)N)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea?
The InChIKey is TWLSGFCBBLVWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)8-11(3)17-15(19)18-14-7-5-6-13(9-14)12(4)16/h5-7,9-12H,8,16H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea?
1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea has a molecular weight of 263.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea is sourced from PubChem (CID 61341307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).