ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea

C13H23N3O — CID 142017066

IUPACethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea
SMILESCC.CNCc1cccc(CNC(=O)NC)c1
InChIInChI=1S/C11H17N3O.C2H6/c1-12-7-9-4-3-5-10(6-9)8-14-11(15)13-2;1-2/h3-6,12H,7-8H2,1-2H3,(H2,13,14,15);1-2H3
InChIKeySXXHBTLELXDZGF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.86
Rot. Bonds4

About ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea

ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea (PubChem CID 142017066) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea.

Molecular Properties

Compound Nameethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea
PubChem CID142017066
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Nameethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea
SMILESCC.CNCc1cccc(CNC(=O)NC)c1
InChIInChI=1S/C11H17N3O.C2H6/c1-12-7-9-4-3-5-10(6-9)8-14-11(15)13-2;1-2/h3-6,12H,7-8H2,1-2H3,(H2,13,14,15);1-2H3
InChIKeySXXHBTLELXDZGF-UHFFFAOYSA-N
XLogP1.86
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea
CID 23563356
1,1-dimethyl-3-[[3-[(methylcarbamoylamino)methyl]phenyl]methyl]urea
CID 139316626
1-benzyl-3-methylurea;ethane
CID 90763782
1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea
CID 58988184
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
1-methyl-3-(pyridin-1-ium-3-ylmethyl)urea
CID 23548385
1,3-bis[[3-(2-aminoethyl)phenyl]methyl]urea
CID 159960728
1-[[3-(aminomethyl)phenyl]methyl]-3-(cyanomethyl)urea
CID 108864734
1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea
CID 131998616
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
S-methyl N-[[3-[(methylsulfanylcarbonylamino)methyl]phenyl]methyl]carbamothioate
CID 58004919
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea?
The IUPAC name of ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea (CID 142017066) is ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea.
What is the SMILES notation for ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea?
The canonical SMILES for ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea is CC.CNCc1cccc(CNC(=O)NC)c1.
What is the InChIKey of ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea?
The InChIKey is SXXHBTLELXDZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.C2H6/c1-12-7-9-4-3-5-10(6-9)8-14-11(15)13-2;1-2/h3-6,12H,7-8H2,1-2H3,(H2,13,14,15);1-2H3.
What are the key properties of ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea?
ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea has a molecular weight of 237.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea is sourced from PubChem (CID 142017066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).