2-[3-(aminomethyl)-5-ethylphenyl]ethylurea

C12H19N3O — CID 70653786

IUPAC2-[3-(aminomethyl)-5-ethylphenyl]ethylurea
SMILESCCc1cc(CN)cc(CCNC(N)=O)c1
InChIInChI=1S/C12H19N3O/c1-2-9-5-10(3-4-15-12(14)16)7-11(6-9)8-13/h5-7H,2-4,8,13H2,1H3,(H3,14,15,16)
InChIKeyDEAHTEIWVUEORT-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.92
Rot. Bonds5

About 2-[3-(aminomethyl)-5-ethylphenyl]ethylurea

2-[3-(aminomethyl)-5-ethylphenyl]ethylurea (PubChem CID 70653786) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-5-ethylphenyl]ethylurea.

Molecular Properties

Compound Name2-[3-(aminomethyl)-5-ethylphenyl]ethylurea
PubChem CID70653786
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[3-(aminomethyl)-5-ethylphenyl]ethylurea
SMILESCCc1cc(CN)cc(CCNC(N)=O)c1
InChIInChI=1S/C12H19N3O/c1-2-9-5-10(3-4-15-12(14)16)7-11(6-9)8-13/h5-7H,2-4,8,13H2,1H3,(H3,14,15,16)
InChIKeyDEAHTEIWVUEORT-UHFFFAOYSA-N
XLogP0.92
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-aminobutyl)-5-methylphenyl]ethylurea
CID 118527566
2-[3-(4-aminobutyl)-5-tert-butylphenyl]ethylurea
CID 70646192
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574
2-amino-N-[2-(4-ethylphenyl)ethyl]acetamide
CID 94681068
(3-ethylphenyl)methylurea
CID 70298508
[4-[2-(carbamoylamino)ethyl]-2-propanoyloxyphenyl] propanoate
CID 68919389
2-(3-chlorophenyl)ethylurea
CID 127513466
2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
CID 3032080
2-(1H-pyrrol-3-yl)ethylurea
CID 115168515
2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115187566
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619
N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide
CID 115140882

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-5-ethylphenyl]ethylurea?
The IUPAC name of 2-[3-(aminomethyl)-5-ethylphenyl]ethylurea (CID 70653786) is 2-[3-(aminomethyl)-5-ethylphenyl]ethylurea.
What is the SMILES notation for 2-[3-(aminomethyl)-5-ethylphenyl]ethylurea?
The canonical SMILES for 2-[3-(aminomethyl)-5-ethylphenyl]ethylurea is CCc1cc(CN)cc(CCNC(N)=O)c1.
What is the InChIKey of 2-[3-(aminomethyl)-5-ethylphenyl]ethylurea?
The InChIKey is DEAHTEIWVUEORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-9-5-10(3-4-15-12(14)16)7-11(6-9)8-13/h5-7H,2-4,8,13H2,1H3,(H3,14,15,16).
What are the key properties of 2-[3-(aminomethyl)-5-ethylphenyl]ethylurea?
2-[3-(aminomethyl)-5-ethylphenyl]ethylurea has a molecular weight of 221.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-5-ethylphenyl]ethylurea is sourced from PubChem (CID 70653786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).