3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine

C27H32FN3O — CID 175912374

IUPAC3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine
SMILESCC(C)COc1ccc(CNc2nc(C3CCNC3)ccc2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C27H32FN3O/c1-19(2)18-32-25-10-5-21(6-11-25)16-30-27-22(15-20-3-8-24(28)9-4-20)7-12-26(31-27)23-13-14-29-17-23/h3-12,19,23,29H,13-18H2,1-2H3,(H,30,31)
InChIKeyJZQOCTFIZXTPRU-UHFFFAOYSA-N
MW433.57 g/mol
LogP5.54
Rot. Bonds9

About 3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine

3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine (PubChem CID 175912374) has the molecular formula C27H32FN3O and a molecular weight of 433.57 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine
PubChem CID175912374
Molecular FormulaC27H32FN3O
Molecular Weight433.57 g/mol
Exact Mass433.25
IUPAC Name3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine
SMILESCC(C)COc1ccc(CNc2nc(C3CCNC3)ccc2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C27H32FN3O/c1-19(2)18-32-25-10-5-21(6-11-25)16-30-27-22(15-20-3-8-24(28)9-4-20)7-12-26(31-27)23-13-14-29-17-23/h3-12,19,23,29H,13-18H2,1-2H3,(H,30,31)
InChIKeyJZQOCTFIZXTPRU-UHFFFAOYSA-N
XLogP5.54
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-pyrrolidin-3-ylpyrimidin-2-amine
CID 175433570
N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine
CID 39389632
4-N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455541
2-[4-(2-methylpropoxy)phenyl]thiomorpholine
CID 82297938
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-piperidin-4-ylacetamide
CID 10097003
4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine
CID 110090018
4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine
CID 175430727
4-N-[(4-fluorophenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455219
4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 34884368
2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39372728
2-(4-fluorophenyl)-2-[(1-methylpiperidin-4-yl)amino]-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 175432407
N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine
CID 166818497

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine (CID 175912374) is 3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine is CC(C)COc1ccc(CNc2nc(C3CCNC3)ccc2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine?
The InChIKey is JZQOCTFIZXTPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O/c1-19(2)18-32-25-10-5-21(6-11-25)16-30-27-22(15-20-3-8-24(28)9-4-20)7-12-26(31-27)23-13-14-29-17-23/h3-12,19,23,29H,13-18H2,1-2H3,(H,30,31).
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine?
3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine has a molecular weight of 433.57 g/mol, XLogP of 5.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine is sourced from PubChem (CID 175912374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).