N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine

C14H22FN3 — CID 115238653

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
SMILESCc1cc(CNCC2CN(C)CCN2)ccc1F
InChIInChI=1S/C14H22FN3/c1-11-7-12(3-4-14(11)15)8-16-9-13-10-18(2)6-5-17-13/h3-4,7,13,16-17H,5-6,8-10H2,1-2H3
InChIKeyLAQYMHSBTAGSNK-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.13
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine

N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine (PubChem CID 115238653) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
PubChem CID115238653
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
SMILESCc1cc(CNCC2CN(C)CCN2)ccc1F
InChIInChI=1S/C14H22FN3/c1-11-7-12(3-4-14(11)15)8-16-9-13-10-18(2)6-5-17-13/h3-4,7,13,16-17H,5-6,8-10H2,1-2H3
InChIKeyLAQYMHSBTAGSNK-UHFFFAOYSA-N
XLogP1.13
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methyl-N-[(4-methylpiperazin-2-yl)methyl]aniline
CID 115238533
N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238651
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115238665
1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115238690
4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline
CID 115239371
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238694
2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238118
2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 115238453
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238664

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine (CID 115238653) is N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine is Cc1cc(CNCC2CN(C)CCN2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine?
The InChIKey is LAQYMHSBTAGSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-11-7-12(3-4-14(11)15)8-16-9-13-10-18(2)6-5-17-13/h3-4,7,13,16-17H,5-6,8-10H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine?
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine has a molecular weight of 251.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 115238653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).