4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

C24H32N2O — CID 142849842

IUPAC4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCc1cc(C2=CCN(CCCCN)CC2)c(C)cc1OCc1ccccc1
InChIInChI=1S/C24H32N2O/c1-19-17-24(27-18-21-8-4-3-5-9-21)20(2)16-23(19)22-10-14-26(15-11-22)13-7-6-12-25/h3-5,8-10,16-17H,6-7,11-15,18,25H2,1-2H3
InChIKeyJWRDYVLCRDANRI-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.71
Rot. Bonds8

About 4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (PubChem CID 142849842) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
PubChem CID142849842
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCc1cc(C2=CCN(CCCCN)CC2)c(C)cc1OCc1ccccc1
InChIInChI=1S/C24H32N2O/c1-19-17-24(27-18-21-8-4-3-5-9-21)20(2)16-23(19)22-10-14-26(15-11-22)13-7-6-12-25/h3-5,8-10,16-17H,6-7,11-15,18,25H2,1-2H3
InChIKeyJWRDYVLCRDANRI-UHFFFAOYSA-N
XLogP4.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (CID 142849842) is 4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is Cc1cc(C2=CCN(CCCCN)CC2)c(C)cc1OCc1ccccc1.
What is the InChIKey of 4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The InChIKey is JWRDYVLCRDANRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-19-17-24(27-18-21-8-4-3-5-9-21)20(2)16-23(19)22-10-14-26(15-11-22)13-7-6-12-25/h3-5,8-10,16-17H,6-7,11-15,18,25H2,1-2H3.
What are the key properties of 4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine has a molecular weight of 364.53 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethyl-4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is sourced from PubChem (CID 142849842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).