1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine

C20H33N — CID 81025893

IUPAC1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1Cc1cc(C)ccc1C
InChIInChI=1S/C20H33N/c1-14(2)17-8-9-18(13-21-5)20(11-17)12-19-10-15(3)6-7-16(19)4/h6-7,10,14,17-18,20-21H,8-9,11-13H2,1-5H3
InChIKeyIFMQNULHSJQPJI-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.75
Rot. Bonds5

About 1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine

1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine (PubChem CID 81025893) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine
PubChem CID81025893
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1Cc1cc(C)ccc1C
InChIInChI=1S/C20H33N/c1-14(2)17-8-9-18(13-21-5)20(11-17)12-19-10-15(3)6-7-16(19)4/h6-7,10,14,17-18,20-21H,8-9,11-13H2,1-5H3
InChIKeyIFMQNULHSJQPJI-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 81012364
2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401728
1-[2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81029181
N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027865
N-methyl-1-(4-propan-2-yl-2-propylcyclohexyl)methanamine
CID 81028967
N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034224
2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 106864992
2-[(2,5-dimethylphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61481881
1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81025388
[2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81011736
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 60714034

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine (CID 81025893) is 1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C(C)C)CC1Cc1cc(C)ccc1C.
What is the InChIKey of 1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The InChIKey is IFMQNULHSJQPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-14(2)17-8-9-18(13-21-5)20(11-17)12-19-10-15(3)6-7-16(19)4/h6-7,10,14,17-18,20-21H,8-9,11-13H2,1-5H3.
What are the key properties of 1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine has a molecular weight of 287.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81025893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).