[4-(pyrrolidin-2-ylmethylamino)phenyl]urea

C12H18N4O — CID 106637716

IUPAC[4-(pyrrolidin-2-ylmethylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NCC2CCCN2)cc1
InChIInChI=1S/C12H18N4O/c13-12(17)16-10-5-3-9(4-6-10)15-8-11-2-1-7-14-11/h3-6,11,14-15H,1-2,7-8H2,(H3,13,16,17)
InChIKeyMZUBJSGJOFYBAF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.34
Rot. Bonds4

About [4-(pyrrolidin-2-ylmethylamino)phenyl]urea

[4-(pyrrolidin-2-ylmethylamino)phenyl]urea (PubChem CID 106637716) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is [4-(pyrrolidin-2-ylmethylamino)phenyl]urea.

Molecular Properties

Compound Name[4-(pyrrolidin-2-ylmethylamino)phenyl]urea
PubChem CID106637716
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name[4-(pyrrolidin-2-ylmethylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NCC2CCCN2)cc1
InChIInChI=1S/C12H18N4O/c13-12(17)16-10-5-3-9(4-6-10)15-8-11-2-1-7-14-11/h3-6,11,14-15H,1-2,7-8H2,(H3,13,16,17)
InChIKeyMZUBJSGJOFYBAF-UHFFFAOYSA-N
XLogP1.34
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyrrolidin-2-ylmethylamino)benzoic acid
CID 106636873
ethyl 4-(pyrrolidin-2-ylmethylamino)benzoate
CID 106636876
[4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea
CID 79538316
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
methyl-[4-(pyrrolidin-2-ylmethylamino)phenyl]carbamic acid
CID 67666043
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 24936245
1-(4-hydroxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235796
3,4-dichloro-N-(pyrrolidin-2-ylmethyl)aniline;oxalic acid
CID 17389918
oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine
CID 17389955
4-ethylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208091
methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate
CID 106637935

Frequently Asked Questions

What is the IUPAC name of [4-(pyrrolidin-2-ylmethylamino)phenyl]urea?
The IUPAC name of [4-(pyrrolidin-2-ylmethylamino)phenyl]urea (CID 106637716) is [4-(pyrrolidin-2-ylmethylamino)phenyl]urea.
What is the SMILES notation for [4-(pyrrolidin-2-ylmethylamino)phenyl]urea?
The canonical SMILES for [4-(pyrrolidin-2-ylmethylamino)phenyl]urea is NC(=O)Nc1ccc(NCC2CCCN2)cc1.
What is the InChIKey of [4-(pyrrolidin-2-ylmethylamino)phenyl]urea?
The InChIKey is MZUBJSGJOFYBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(17)16-10-5-3-9(4-6-10)15-8-11-2-1-7-14-11/h3-6,11,14-15H,1-2,7-8H2,(H3,13,16,17).
What are the key properties of [4-(pyrrolidin-2-ylmethylamino)phenyl]urea?
[4-(pyrrolidin-2-ylmethylamino)phenyl]urea has a molecular weight of 234.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrrolidin-2-ylmethylamino)phenyl]urea is sourced from PubChem (CID 106637716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).