N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine

C22H28FNO3 — CID 75445626

IUPACN-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine
SMILESCOc1ccc(CNC(C)C(OC)c2ccccc2F)cc1OCC1CC1
InChIInChI=1S/C22H28FNO3/c1-15(22(26-3)18-6-4-5-7-19(18)23)24-13-17-10-11-20(25-2)21(12-17)27-14-16-8-9-16/h4-7,10-12,15-16,22,24H,8-9,13-14H2,1-3H3
InChIKeyFGOSSAKNMKYADT-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.49
Rot. Bonds10

About N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine

N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine (PubChem CID 75445626) has the molecular formula C22H28FNO3 and a molecular weight of 373.47 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine
PubChem CID75445626
Molecular FormulaC22H28FNO3
Molecular Weight373.47 g/mol
Exact Mass373.21
IUPAC NameN-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine
SMILESCOc1ccc(CNC(C)C(OC)c2ccccc2F)cc1OCC1CC1
InChIInChI=1S/C22H28FNO3/c1-15(22(26-3)18-6-4-5-7-19(18)23)24-13-17-10-11-20(25-2)21(12-17)27-14-16-8-9-16/h4-7,10-12,15-16,22,24H,8-9,13-14H2,1-3H3
InChIKeyFGOSSAKNMKYADT-UHFFFAOYSA-N
XLogP4.49
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine?
The IUPAC name of N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine (CID 75445626) is N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine.
What is the SMILES notation for N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine?
The canonical SMILES for N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine is COc1ccc(CNC(C)C(OC)c2ccccc2F)cc1OCC1CC1.
What is the InChIKey of N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine?
The InChIKey is FGOSSAKNMKYADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO3/c1-15(22(26-3)18-6-4-5-7-19(18)23)24-13-17-10-11-20(25-2)21(12-17)27-14-16-8-9-16/h4-7,10-12,15-16,22,24H,8-9,13-14H2,1-3H3.
What are the key properties of N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine?
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine has a molecular weight of 373.47 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)-1-methoxypropan-2-amine is sourced from PubChem (CID 75445626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).