N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine

C18H29FN2 — CID 105371975

IUPACN-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(F)cc1CN1CCCCC1CNCC(C)C
InChIInChI=1S/C18H29FN2/c1-14(2)11-20-12-18-6-4-5-9-21(18)13-16-10-17(19)8-7-15(16)3/h7-8,10,14,18,20H,4-6,9,11-13H2,1-3H3
InChIKeyAXWCPEJNDSTMHY-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.73
Rot. Bonds6

About N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 105371975) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID105371975
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(F)cc1CN1CCCCC1CNCC(C)C
InChIInChI=1S/C18H29FN2/c1-14(2)11-20-12-18-6-4-5-9-21(18)13-16-10-17(19)8-7-15(16)3/h7-8,10,14,18,20H,4-6,9,11-13H2,1-3H3
InChIKeyAXWCPEJNDSTMHY-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 114346179
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 62581106
N-[[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 79697599
1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249454
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582020
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 114346171
3-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 105372416
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63527672
N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582200
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63528020
4-[2-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]ethyl]morpholine
CID 56895170
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316184

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine (CID 105371975) is N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine is Cc1ccc(F)cc1CN1CCCCC1CNCC(C)C.
What is the InChIKey of N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is AXWCPEJNDSTMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-14(2)11-20-12-18-6-4-5-9-21(18)13-16-10-17(19)8-7-15(16)3/h7-8,10,14,18,20H,4-6,9,11-13H2,1-3H3.
What are the key properties of N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105371975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).