3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine

C21H29NO — CID 145395900

IUPAC3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
SMILESCCC(C)c1ccc(COC(CCNC)c2ccccc2)cc1
InChIInChI=1S/C21H29NO/c1-4-17(2)19-12-10-18(11-13-19)16-23-21(14-15-22-3)20-8-6-5-7-9-20/h5-13,17,21-22H,4,14-16H2,1-3H3
InChIKeyLFFLMRUJNLRRMC-UHFFFAOYSA-N
MW311.47 g/mol
LogP5.07
Rot. Bonds9

About 3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine

3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine (PubChem CID 145395900) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
PubChem CID145395900
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
SMILESCCC(C)c1ccc(COC(CCNC)c2ccccc2)cc1
InChIInChI=1S/C21H29NO/c1-4-17(2)19-12-10-18(11-13-19)16-23-21(14-15-22-3)20-8-6-5-7-9-20/h5-13,17,21-22H,4,14-16H2,1-3H3
InChIKeyLFFLMRUJNLRRMC-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-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-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
CID 112507884
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
1-butan-2-yl-4-(heptan-2-yloxymethyl)benzene
CID 134215652
6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine
CID 65308641
N'-[(4-butan-2-ylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201902
1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
CID 43483039
3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
CID 161266462
N-methyl-N-[3-[[3-(methylamino)-1-phenylpropoxy]methyl]phenyl]benzamide
CID 138559988
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
CID 102987103
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
(4S,8S)-8-[(4-methoxyphenyl)methoxy]-8-phenyloct-1-en-4-ol
CID 162393497

Frequently Asked Questions

What is the IUPAC name of 3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine (CID 145395900) is 3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine is CCC(C)c1ccc(COC(CCNC)c2ccccc2)cc1.
What is the InChIKey of 3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine?
The InChIKey is LFFLMRUJNLRRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-4-17(2)19-12-10-18(11-13-19)16-23-21(14-15-22-3)20-8-6-5-7-9-20/h5-13,17,21-22H,4,14-16H2,1-3H3.
What are the key properties of 3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine?
3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 145395900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).