3-[4-(aminomethyl)phenyl]-1,1-diethylurea

C12H19N3O — CID 43133027

IUPAC3-[4-(aminomethyl)phenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C12H19N3O/c1-3-15(4-2)12(16)14-11-7-5-10(9-13)6-8-11/h5-8H,3-4,9,13H2,1-2H3,(H,14,16)
InChIKeyQNBFFOXPDONIMW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds4

About 3-[4-(aminomethyl)phenyl]-1,1-diethylurea

3-[4-(aminomethyl)phenyl]-1,1-diethylurea (PubChem CID 43133027) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]-1,1-diethylurea
PubChem CID43133027
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[4-(aminomethyl)phenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C12H19N3O/c1-3-15(4-2)12(16)14-11-7-5-10(9-13)6-8-11/h5-8H,3-4,9,13H2,1-2H3,(H,14,16)
InChIKeyQNBFFOXPDONIMW-UHFFFAOYSA-N
XLogP2.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea
CID 106936437
1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
CID 82354382
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
3-[4-(aminomethyl)-2-methoxyphenyl]-1,1-diethylurea
CID 104848503
2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide
CID 61449717
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543
3-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153893
3-(3-amino-4-bromophenyl)-1,1-diethylurea
CID 79767901
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477006
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
CID 60543423

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]-1,1-diethylurea?
The IUPAC name of 3-[4-(aminomethyl)phenyl]-1,1-diethylurea (CID 43133027) is 3-[4-(aminomethyl)phenyl]-1,1-diethylurea.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]-1,1-diethylurea?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]-1,1-diethylurea is CCN(CC)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]-1,1-diethylurea?
The InChIKey is QNBFFOXPDONIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15(4-2)12(16)14-11-7-5-10(9-13)6-8-11/h5-8H,3-4,9,13H2,1-2H3,(H,14,16).
What are the key properties of 3-[4-(aminomethyl)phenyl]-1,1-diethylurea?
3-[4-(aminomethyl)phenyl]-1,1-diethylurea has a molecular weight of 221.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]-1,1-diethylurea is sourced from PubChem (CID 43133027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).