3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea

C15H24N4O — CID 63274287

IUPAC3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
SMILESCN1CCC(CN(C)C(=O)Nc2ccc(CN)cc2)C1
InChIInChI=1S/C15H24N4O/c1-18-8-7-13(10-18)11-19(2)15(20)17-14-5-3-12(9-16)4-6-14/h3-6,13H,7-11,16H2,1-2H3,(H,17,20)
InChIKeyMVHLKRBVDDBNIA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.56
Rot. Bonds4

About 3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea

3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea (PubChem CID 63274287) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
PubChem CID63274287
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
SMILESCN1CCC(CN(C)C(=O)Nc2ccc(CN)cc2)C1
InChIInChI=1S/C15H24N4O/c1-18-8-7-13(10-18)11-19(2)15(20)17-14-5-3-12(9-16)4-6-14/h3-6,13H,7-11,16H2,1-2H3,(H,17,20)
InChIKeyMVHLKRBVDDBNIA-UHFFFAOYSA-N
XLogP1.56
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide
CID 95598590
4-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63274929
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115213242
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63656761
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 55172976
3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 115613492
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
3-[4-(aminomethyl)phenyl]-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114950713
2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide
CID 63275498
3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea (CID 63274287) is 3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea is CN1CCC(CN(C)C(=O)Nc2ccc(CN)cc2)C1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea?
The InChIKey is MVHLKRBVDDBNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-8-7-13(10-18)11-19(2)15(20)17-14-5-3-12(9-16)4-6-14/h3-6,13H,7-11,16H2,1-2H3,(H,17,20).
What are the key properties of 3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea?
3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea has a molecular weight of 276.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 63274287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).