1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea

C14H22N2OS — CID 19649703

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea
SMILESCOc1ccccc1CCNC(=S)NCC(C)C
InChIInChI=1S/C14H22N2OS/c1-11(2)10-16-14(18)15-9-8-12-6-4-5-7-13(12)17-3/h4-7,11H,8-10H2,1-3H3,(H2,15,16,18)
InChIKeyBROSNSIHJBECJQ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.36
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea

1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea (PubChem CID 19649703) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea
PubChem CID19649703
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea
SMILESCOc1ccccc1CCNC(=S)NCC(C)C
InChIInChI=1S/C14H22N2OS/c1-11(2)10-16-14(18)15-9-8-12-6-4-5-7-13(12)17-3/h4-7,11H,8-10H2,1-3H3,(H2,15,16,18)
InChIKeyBROSNSIHJBECJQ-UHFFFAOYSA-N
XLogP2.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 22639980
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)propanamide
CID 103604200
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012770
1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 17298438
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8726213
2-bromo-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 106260318
N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 106261293

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea (CID 19649703) is 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea is COc1ccccc1CCNC(=S)NCC(C)C.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea?
The InChIKey is BROSNSIHJBECJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(2)10-16-14(18)15-9-8-12-6-4-5-7-13(12)17-3/h4-7,11H,8-10H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea?
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea has a molecular weight of 266.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 19649703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).