1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea

C14H23N3O — CID 43276091

IUPAC1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea
SMILESCC(C)NC(=O)N(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)16-14(18)17(11(3)4)13-7-5-12(9-15)6-8-13/h5-8,10-11H,9,15H2,1-4H3,(H,16,18)
InChIKeyUBEMONQXSHQYJN-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.48
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea

1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea (PubChem CID 43276091) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea
PubChem CID43276091
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea
SMILESCC(C)NC(=O)N(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)16-14(18)17(11(3)4)13-7-5-12(9-15)6-8-13/h5-8,10-11H,9,15H2,1-4H3,(H,16,18)
InChIKeyUBEMONQXSHQYJN-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
CID 43275962
N-[4-(aminomethyl)phenyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 43275967
3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide
CID 62624496
N-[4-(aminomethyl)phenyl]-2-phenyl-N-propan-2-ylacetamide
CID 43275980
N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide
CID 83146456
N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide
CID 115949136
N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 79155841
N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide
CID 114818480
N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 43276007
N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide
CID 62907547
N-[4-(aminomethyl)phenyl]-2-methylpropanehydrazide
CID 174490101
3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 55098335

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea (CID 43276091) is 1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea is CC(C)NC(=O)N(c1ccc(CN)cc1)C(C)C.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea?
The InChIKey is UBEMONQXSHQYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)16-14(18)17(11(3)4)13-7-5-12(9-15)6-8-13/h5-8,10-11H,9,15H2,1-4H3,(H,16,18).
What are the key properties of 1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea?
1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea has a molecular weight of 249.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea is sourced from PubChem (CID 43276091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).