3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine

C22H31NO — CID 15945524

IUPAC3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCc1cc(C)c(C(OCCCNC(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C22H31NO/c1-16(2)23-12-9-13-24-22(20-10-7-6-8-11-20)21-18(4)14-17(3)15-19(21)5/h6-8,10-11,14-16,22-23H,9,12-13H2,1-5H3
InChIKeyRUWJWJOWWHKQPF-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.11
Rot. Bonds8

About 3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine

3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine (PubChem CID 15945524) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine
PubChem CID15945524
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCc1cc(C)c(C(OCCCNC(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C22H31NO/c1-16(2)23-12-9-13-24-22(20-10-7-6-8-11-20)21-18(4)14-17(3)15-19(21)5/h6-8,10-11,14-16,22-23H,9,12-13H2,1-5H3
InChIKeyRUWJWJOWWHKQPF-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-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

3-benzhydryloxy-N-propan-2-ylpropan-1-amine
CID 163865412
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
N-[1-(3,4-dimethylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 63476953
3-[(3,5-dimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62342428
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
CID 117071490
3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine
CID 63229031
3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 67578950
N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine
CID 86174020
N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine
CID 3046451
N-[1-(2-chloro-4-pyridinyl)ethyl]-3-(1-phenylethoxy)propan-1-amine
CID 91644746
N-[2-(4-methylphenoxy)ethyl]propan-2-amine
CID 17178065

Frequently Asked Questions

What is the IUPAC name of 3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine (CID 15945524) is 3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine is Cc1cc(C)c(C(OCCCNC(C)C)c2ccccc2)c(C)c1.
What is the InChIKey of 3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is RUWJWJOWWHKQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-16(2)23-12-9-13-24-22(20-10-7-6-8-11-20)21-18(4)14-17(3)15-19(21)5/h6-8,10-11,14-16,22-23H,9,12-13H2,1-5H3.
What are the key properties of 3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine?
3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 325.50 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 15945524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).