2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine

C18H28N2 — CID 106313147

IUPAC2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CN2CC=C(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H28N2/c1-14-5-7-15(8-6-14)17(19)13-20-11-9-16(10-12-20)18(2,3)4/h5-9,17H,10-13,19H2,1-4H3
InChIKeyNVAWYUFMPZDLLU-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.67
Rot. Bonds3

About 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine

2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine (PubChem CID 106313147) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine
PubChem CID106313147
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CN2CC=C(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H28N2/c1-14-5-7-15(8-6-14)17(19)13-20-11-9-16(10-12-20)18(2,3)4/h5-9,17H,10-13,19H2,1-4H3
InChIKeyNVAWYUFMPZDLLU-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114460322
4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine
CID 176795543
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
CID 43211438
(2S)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 130523166
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490242
1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 62992058
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine
CID 71049116
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
CID 114460259
4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 153307532
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine
CID 114460287
2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114490136
1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114489625

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine (CID 106313147) is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine is Cc1ccc(C(N)CN2CC=C(C(C)(C)C)CC2)cc1.
What is the InChIKey of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine?
The InChIKey is NVAWYUFMPZDLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-5-7-15(8-6-14)17(19)13-20-11-9-16(10-12-20)18(2,3)4/h5-9,17H,10-13,19H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine?
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine has a molecular weight of 272.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 106313147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).