4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline

C19H29FN2 — CID 168963226

IUPAC4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline
SMILESCC1CCC(N(C[C@@H]2CCN(C)C2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN2/c1-15-3-7-18(8-4-15)22(14-16-11-12-21(2)13-16)19-9-5-17(20)6-10-19/h5-6,9-10,15-16,18H,3-4,7-8,11-14H2,1-2H3/t15?,16-,18?/m1/s1
InChIKeyREKDSUVGPMJMTB-UPTPFMHGSA-N
MW304.45 g/mol
LogP4.16
Rot. Bonds4

About 4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline

4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline (PubChem CID 168963226) has the molecular formula C19H29FN2 and a molecular weight of 304.45 g/mol. Its IUPAC name is 4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline
PubChem CID168963226
Molecular FormulaC19H29FN2
Molecular Weight304.45 g/mol
Exact Mass304.23
IUPAC Name4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline
SMILESCC1CCC(N(C[C@@H]2CCN(C)C2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN2/c1-15-3-7-18(8-4-15)22(14-16-11-12-21(2)13-16)19-9-5-17(20)6-10-19/h5-6,9-10,15-16,18H,3-4,7-8,11-14H2,1-2H3/t15?,16-,18?/m1/s1
InChIKeyREKDSUVGPMJMTB-UPTPFMHGSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline with MolForge

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Related Compounds

1-(4-fluorophenyl)-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 107521169
1-(4-fluorophenyl)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-one
CID 63273502
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 63276067
(4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 66853345
N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 57205530
4-fluoro-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 104982822
2-(2-aminoethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63783264
1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 55172587
1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 63236752
N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 176641061
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 55172406

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline?
The IUPAC name of 4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline (CID 168963226) is 4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline is CC1CCC(N(C[C@@H]2CCN(C)C2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline?
The InChIKey is REKDSUVGPMJMTB-UPTPFMHGSA-N. The full InChI is InChI=1S/C19H29FN2/c1-15-3-7-18(8-4-15)22(14-16-11-12-21(2)13-16)19-9-5-17(20)6-10-19/h5-6,9-10,15-16,18H,3-4,7-8,11-14H2,1-2H3/t15?,16-,18?/m1/s1.
What are the key properties of 4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline?
4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline has a molecular weight of 304.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methylcyclohexyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]aniline is sourced from PubChem (CID 168963226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).