1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine

C21H28FNO3 — CID 119127152

IUPAC1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1cc(CNC(c2ccc(F)cc2)C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C21H28FNO3/c1-21(2,3)20(15-7-9-16(22)10-8-15)23-13-14-11-17(24-4)19(26-6)18(12-14)25-5/h7-12,20,23H,13H2,1-6H3
InChIKeyAIIPCXNZWFYMFH-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.73
Rot. Bonds7

About 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine

1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine (PubChem CID 119127152) has the molecular formula C21H28FNO3 and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
PubChem CID119127152
Molecular FormulaC21H28FNO3
Molecular Weight361.46 g/mol
Exact Mass361.21
IUPAC Name1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1cc(CNC(c2ccc(F)cc2)C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C21H28FNO3/c1-21(2,3)20(15-7-9-16(22)10-8-15)23-13-14-11-17(24-4)19(26-6)18(12-14)25-5/h7-12,20,23H,13H2,1-6H3
InChIKeyAIIPCXNZWFYMFH-UHFFFAOYSA-N
XLogP4.73
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine with MolForge

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Related Compounds

4-[[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-2-[5-[[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-2-hydroxy-3-methoxyphenyl]-6-methoxyphenol
CID 58895709
[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol
CID 110009379
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol
CID 43735061
2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol
CID 62816210
(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 95901161
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 63446121
(1R)-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81351806
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 17155955
(1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine
CID 94815102
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
(4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine
CID 24688997

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine (CID 119127152) is 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine is COc1cc(CNC(c2ccc(F)cc2)C(C)(C)C)cc(OC)c1OC.
What is the InChIKey of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is AIIPCXNZWFYMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO3/c1-21(2,3)20(15-7-9-16(22)10-8-15)23-13-14-11-17(24-4)19(26-6)18(12-14)25-5/h7-12,20,23H,13H2,1-6H3.
What are the key properties of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine?
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 361.46 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 119127152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).