N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine

C22H31NO — CID 6712809

IUPACN-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
SMILESCC(ON(C(c1ccccc1)C(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C22H31NO/c1-17(2)21(20-15-11-8-12-16-20)23(22(4,5)6)24-18(3)19-13-9-7-10-14-19/h7-18,21H,1-6H3
InChIKeyFPFRTDOMIFBPBZ-UHFFFAOYSA-N
MW325.50 g/mol
LogP6.18
Rot. Bonds6

About N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine

N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine (PubChem CID 6712809) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
PubChem CID6712809
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC NameN-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
SMILESCC(ON(C(c1ccccc1)C(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C22H31NO/c1-17(2)21(20-15-11-8-12-16-20)23(22(4,5)6)24-18(3)19-13-9-7-10-14-19/h7-18,21H,1-6H3
InChIKeyFPFRTDOMIFBPBZ-UHFFFAOYSA-N
XLogP6.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine 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

2-(1,1-Dimethylethyl)-3-phenyloxaziridine
CID 98371
2,2,6,6-Tetramethyl-1-(1-phenylethoxy)piperidine
CID 4172562
(2-Methyl-3,5-diphenyl-2,3-dihydro-4-isoxazolyl)methanol
CID 15945698
3-[Benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 59570682
N-Isobutyl-1,2-diphenylethanolamine
CID 3036007
2-(Dimethylamino)-1,2-diphenylethanol
CID 223870
(1S,2S)-2-(dimethylamino)-1,2-diphenylethanol
CID 71454813
2-(Benzyl(methyl)amino)-1-phenylethanol
CID 10466877
Benzeneethanamine, N-ethyl-alpha-methyl-N-(phenylmethoxy)-3-(trifluoromethyl)-
CID 13394778
3-[Benzyl(methyl)amino]-1-phenylpropan-1-ol
CID 15678556
N-tert-Butyl-O-[1-[4-(chloromethyl)phenyl]ethyl]-N-(2-methyl-1-phenylpropyl)hydroxylamine
CID 22733773
2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
CID 15261432

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine (CID 6712809) is N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine is CC(ON(C(c1ccccc1)C(C)C)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine?
The InChIKey is FPFRTDOMIFBPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-17(2)21(20-15-11-8-12-16-20)23(22(4,5)6)24-18(3)19-13-9-7-10-14-19/h7-18,21H,1-6H3.
What are the key properties of N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine?
N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine has a molecular weight of 325.50 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine is sourced from PubChem (CID 6712809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).