1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea

C15H21N3O2 — CID 108913190

IUPAC1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea
SMILESNCc1cccc(CNC(=O)NC=C2CCOCC2)c1
InChIInChI=1S/C15H21N3O2/c16-9-13-2-1-3-14(8-13)11-18-15(19)17-10-12-4-6-20-7-5-12/h1-3,8,10H,4-7,9,11,16H2,(H2,17,18,19)
InChIKeyFQMWEBAFBMMTTJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.64
Rot. Bonds4

About 1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea

1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913190) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913190
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea
SMILESNCc1cccc(CNC(=O)NC=C2CCOCC2)c1
InChIInChI=1S/C15H21N3O2/c16-9-13-2-1-3-14(8-13)11-18-15(19)17-10-12-4-6-20-7-5-12/h1-3,8,10H,4-7,9,11,16H2,(H2,17,18,19)
InChIKeyFQMWEBAFBMMTTJ-UHFFFAOYSA-N
XLogP1.64
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913318
1-[[3-(aminomethyl)phenyl]methyl]-3-tert-butylurea
CID 43589459
1-[[3-(aminomethyl)phenyl]methyl]-3-[(4-bromophenyl)methyl]urea
CID 108899439
1-(cyclopentylidenemethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108913758
1-[[3-(aminomethyl)phenyl]methyl]-3-(cyanomethyl)urea
CID 108864734
N-[[3-(aminomethyl)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 62797794
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
1,3-bis[[3-(2-aminoethyl)phenyl]methyl]urea
CID 159960728
1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea
CID 108868945
1-[[3-(aminomethyl)phenyl]methyl]-3-(3-bromophenyl)urea
CID 108870136
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate
CID 25061500

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea (CID 108913190) is 1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea is NCc1cccc(CNC(=O)NC=C2CCOCC2)c1.
What is the InChIKey of 1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is FQMWEBAFBMMTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-9-13-2-1-3-14(8-13)11-18-15(19)17-10-12-4-6-20-7-5-12/h1-3,8,10H,4-7,9,11,16H2,(H2,17,18,19).
What are the key properties of 1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea?
1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 275.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).