1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine

C16H23ClN2O — CID 57212855

IUPAC1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
SMILESCC(C)(C)N1CC=C(NOCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O/c1-16(2,3)19-10-8-15(9-11-19)18-20-12-13-4-6-14(17)7-5-13/h4-8,18H,9-12H2,1-3H3
InChIKeyWXHHVHCIUJFGKH-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.75
Rot. Bonds4

About 1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine

1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 57212855) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
PubChem CID57212855
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
SMILESCC(C)(C)N1CC=C(NOCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O/c1-16(2,3)19-10-8-15(9-11-19)18-20-12-13-4-6-14(17)7-5-13/h4-8,18H,9-12H2,1-3H3
InChIKeyWXHHVHCIUJFGKH-UHFFFAOYSA-N
XLogP3.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 91080179
N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine
CID 134994315
N-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-2-amine
CID 19697065
1-(4-chlorophenyl)-N-[2-(diethylamino)ethoxy]penta-1,3-dien-3-amine
CID 57037626
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine
CID 57105589
tert-butyl 4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 57181196
1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine
CID 57187564
N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine
CID 57208334
1-(4-chlorophenyl)-N-[2-(diethylamino)ethoxy]hexa-1,3-dien-3-amine
CID 57247104
1-(4-chlorophenyl)-N-[(2R)-3-(dimethylamino)-2-methylpropoxy]penta-1,3-dien-3-amine
CID 57321443
1-[(4-Chlorophenyl)methoxy]-2,2,6,6-tetramethylpiperidin-4-amine
CID 58420805
N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine
CID 90784367

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine (CID 57212855) is 1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine is CC(C)(C)N1CC=C(NOCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is WXHHVHCIUJFGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-16(2,3)19-10-8-15(9-11-19)18-20-12-13-4-6-14(17)7-5-13/h4-8,18H,9-12H2,1-3H3.
What are the key properties of 1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine?
1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 294.83 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 57212855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).