1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine

C18H21BrN2OS — CID 144934022

IUPAC1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine
SMILESCOc1ccc(Br)cc1SCc1c(C2CC2)cccc1N(C)N
InChIInChI=1S/C18H21BrN2OS/c1-21(20)16-5-3-4-14(12-6-7-12)15(16)11-23-18-10-13(19)8-9-17(18)22-2/h3-5,8-10,12H,6-7,11,20H2,1-2H3
InChIKeyQNABVESBNQTFGR-UHFFFAOYSA-N
MW393.35 g/mol
LogP4.94
Rot. Bonds6

About 1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine

1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine (PubChem CID 144934022) has the molecular formula C18H21BrN2OS and a molecular weight of 393.35 g/mol. Its IUPAC name is 1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine
PubChem CID144934022
Molecular FormulaC18H21BrN2OS
Molecular Weight393.35 g/mol
Exact Mass392.06
IUPAC Name1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine
SMILESCOc1ccc(Br)cc1SCc1c(C2CC2)cccc1N(C)N
InChIInChI=1S/C18H21BrN2OS/c1-21(20)16-5-3-4-14(12-6-7-12)15(16)11-23-18-10-13(19)8-9-17(18)22-2/h3-5,8-10,12H,6-7,11,20H2,1-2H3
InChIKeyQNABVESBNQTFGR-UHFFFAOYSA-N
XLogP4.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine
CID 144933277
N-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
CID 144933974
4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol
CID 129110010
1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
CID 144934063
1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine
CID 134548036
2-bromo-1-cyclopropyl-3-methoxybenzene
CID 130114065
4-bromo-2-tert-butylsulfanyl-1-methoxybenzene
CID 156543346
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858724
3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine
CID 63355272
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105052432
1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568967

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine (CID 144934022) is 1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine is COc1ccc(Br)cc1SCc1c(C2CC2)cccc1N(C)N.
What is the InChIKey of 1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine?
The InChIKey is QNABVESBNQTFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2OS/c1-21(20)16-5-3-4-14(12-6-7-12)15(16)11-23-18-10-13(19)8-9-17(18)22-2/h3-5,8-10,12H,6-7,11,20H2,1-2H3.
What are the key properties of 1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine?
1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine has a molecular weight of 393.35 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine is sourced from PubChem (CID 144934022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).