N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine

C22H27NO — CID 10591883

IUPACN-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine
SMILESCOc1ccc(C2(c3ccccc3)C=CC(NC(C)(C)C)C2)cc1
InChIInChI=1S/C22H27NO/c1-21(2,3)23-19-14-15-22(16-19,17-8-6-5-7-9-17)18-10-12-20(24-4)13-11-18/h5-15,19,23H,16H2,1-4H3
InChIKeyVKBGANCGYZMWLJ-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.70
Rot. Bonds4

About N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine

N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine (PubChem CID 10591883) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine
PubChem CID10591883
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC NameN-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine
SMILESCOc1ccc(C2(c3ccccc3)C=CC(NC(C)(C)C)C2)cc1
InChIInChI=1S/C22H27NO/c1-21(2,3)23-19-14-15-22(16-19,17-8-6-5-7-9-17)18-10-12-20(24-4)13-11-18/h5-15,19,23H,16H2,1-4H3
InChIKeyVKBGANCGYZMWLJ-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.70
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-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
2-(4-methoxyphenyl)-2-methyl-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110437831
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
cis-(1S,2S)-2-(4-methoxyphenyl)-1-phenylcyclopropane-1-carbonitrile
CID 135020770
7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene
CID 585554
3-(4-methoxyanilino)-1-phenylcyclobutane-1-carbonitrile
CID 64906486
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008825
(1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol
CID 10663839
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
(4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one
CID 135031260

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine?
The IUPAC name of N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine (CID 10591883) is N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine is COc1ccc(C2(c3ccccc3)C=CC(NC(C)(C)C)C2)cc1.
What is the InChIKey of N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine?
The InChIKey is VKBGANCGYZMWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-21(2,3)23-19-14-15-22(16-19,17-8-6-5-7-9-17)18-10-12-20(24-4)13-11-18/h5-15,19,23H,16H2,1-4H3.
What are the key properties of N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine?
N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine has a molecular weight of 321.46 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine is sourced from PubChem (CID 10591883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).