[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine

C18H28N2O — CID 114462556

IUPAC[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C18H28N2O/c1-18(2,3)16-7-9-20(10-8-16)13-15-11-14(12-19)5-6-17(15)21-4/h5-7,11H,8-10,12-13,19H2,1-4H3
InChIKeyHLMYWUONHPDDBL-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.33
Rot. Bonds4

About [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine

[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine (PubChem CID 114462556) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine
PubChem CID114462556
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C18H28N2O/c1-18(2,3)16-7-9-20(10-8-16)13-15-11-14(12-19)5-6-17(15)21-4/h5-7,11H,8-10,12-13,19H2,1-4H3
InChIKeyHLMYWUONHPDDBL-UHFFFAOYSA-N
XLogP3.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
CID 114489692
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 103531243
[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine
CID 114459794
[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 115559132
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 63611034
[4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63610193
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol
CID 114678058
[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 62018729
[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methoxyphenyl]methanamine
CID 102725578
[3-(tert-butylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64645567
(4-tert-butyl-3-methoxyphenyl)methanamine
CID 82669944

Frequently Asked Questions

What is the IUPAC name of [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine (CID 114462556) is [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1CN1CC=C(C(C)(C)C)CC1.
What is the InChIKey of [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine?
The InChIKey is HLMYWUONHPDDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)16-7-9-20(10-8-16)13-15-11-14(12-19)5-6-17(15)21-4/h5-7,11H,8-10,12-13,19H2,1-4H3.
What are the key properties of [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine?
[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 114462556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).