N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine

C20H29N — CID 146000574

IUPACN-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNCC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C20H29N/c1-14-3-2-4-15(7-14)5-6-21-13-20-18-9-16-8-17(11-18)12-19(20)10-16/h2-4,7,16-21H,5-6,8-13H2,1H3
InChIKeyIBBWYCLCJMVTAN-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.20
Rot. Bonds5

About N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine

N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine (PubChem CID 146000574) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine
PubChem CID146000574
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC NameN-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNCC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C20H29N/c1-14-3-2-4-15(7-14)5-6-21-13-20-18-9-16-8-17(11-18)12-19(20)10-16/h2-4,7,16-21H,5-6,8-13H2,1H3
InChIKeyIBBWYCLCJMVTAN-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62314981
N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062661
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 104859744
2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 139829326
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63476591
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
3-chloro-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 115215880
2-(3-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 63771762
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 62313715

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine (CID 146000574) is N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CCNCC2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine?
The InChIKey is IBBWYCLCJMVTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-14-3-2-4-15(7-14)5-6-21-13-20-18-9-16-8-17(11-18)12-19(20)10-16/h2-4,7,16-21H,5-6,8-13H2,1H3.
What are the key properties of N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine?
N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine has a molecular weight of 283.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 146000574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).