4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine

C18H29NOS — CID 64657822

IUPAC4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
SMILESCc1ccccc1CS(=O)C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C18H29NOS/c1-13-7-5-6-8-14(13)12-21(20)17-11-15(18(2,3)4)9-10-16(17)19/h5-8,15-17H,9-12,19H2,1-4H3
InChIKeyUTIMSPONTYSWAI-UHFFFAOYSA-N
MW307.50 g/mol
LogP3.79
Rot. Bonds3

About 4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine

4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine (PubChem CID 64657822) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
PubChem CID64657822
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
SMILESCc1ccccc1CS(=O)C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C18H29NOS/c1-13-7-5-6-8-14(13)12-21(20)17-11-15(18(2,3)4)9-10-16(17)19/h5-8,15-17H,9-12,19H2,1-4H3
InChIKeyUTIMSPONTYSWAI-UHFFFAOYSA-N
XLogP3.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658995
[2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine
CID 81333753
4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine
CID 64652765
4-tert-butyl-2-butylsulfinylcyclohexan-1-amine
CID 64653726
4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 63401092
2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
CID 79581971
4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine
CID 107307083
3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one
CID 64724919
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
CID 79863138
3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one
CID 116558532
4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine
CID 64660236
4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine
CID 81013816

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine (CID 64657822) is 4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine is Cc1ccccc1CS(=O)C1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
The InChIKey is UTIMSPONTYSWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-13-7-5-6-8-14(13)12-21(20)17-11-15(18(2,3)4)9-10-16(17)19/h5-8,15-17H,9-12,19H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine has a molecular weight of 307.50 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine is sourced from PubChem (CID 64657822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).