2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline

C16H26N2OS — CID 79146285

IUPAC2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline
SMILESCc1cccc(SCC2CN(CC(C)C)CCO2)c1N
InChIInChI=1S/C16H26N2OS/c1-12(2)9-18-7-8-19-14(10-18)11-20-15-6-4-5-13(3)16(15)17/h4-6,12,14H,7-11,17H2,1-3H3
InChIKeyDYMHJEWXLMTQBZ-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.03
Rot. Bonds5

About 2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline

2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline (PubChem CID 79146285) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline.

Molecular Properties

Compound Name2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline
PubChem CID79146285
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline
SMILESCc1cccc(SCC2CN(CC(C)C)CCO2)c1N
InChIInChI=1S/C16H26N2OS/c1-12(2)9-18-7-8-19-14(10-18)11-20-15-6-4-5-13(3)16(15)17/h4-6,12,14H,7-11,17H2,1-3H3
InChIKeyDYMHJEWXLMTQBZ-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline
CID 79146733
4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol
CID 54911442
2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine
CID 66218624
4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine
CID 61468544
4-methyl-3-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 9377017
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
5-bromo-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171648
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
4-chloro-3-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171348
2-(cyclobutylmethylsulfanyl)-6-methylaniline
CID 79146458
2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine
CID 66290127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline?
The IUPAC name of 2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline (CID 79146285) is 2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline.
What is the SMILES notation for 2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline?
The canonical SMILES for 2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline is Cc1cccc(SCC2CN(CC(C)C)CCO2)c1N.
What is the InChIKey of 2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline?
The InChIKey is DYMHJEWXLMTQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12(2)9-18-7-8-19-14(10-18)11-20-15-6-4-5-13(3)16(15)17/h4-6,12,14H,7-11,17H2,1-3H3.
What are the key properties of 2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline?
2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline has a molecular weight of 294.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline is sourced from PubChem (CID 79146285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).