[3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine

C15H24ClN3 — CID 102662772

IUPAC[3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCC(C)N1CCN(Cc2ccc(CN)cc2Cl)CC1
InChIInChI=1S/C15H24ClN3/c1-12(2)19-7-5-18(6-8-19)11-14-4-3-13(10-17)9-15(14)16/h3-4,9,12H,5-8,10-11,17H2,1-2H3
InChIKeyFAHHLTPQIPAUJV-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.32
Rot. Bonds4

About [3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine

[3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine (PubChem CID 102662772) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is [3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
PubChem CID102662772
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name[3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCC(C)N1CCN(Cc2ccc(CN)cc2Cl)CC1
InChIInChI=1S/C15H24ClN3/c1-12(2)19-7-5-18(6-8-19)11-14-4-3-13(10-17)9-15(14)16/h3-4,9,12H,5-8,10-11,17H2,1-2H3
InChIKeyFAHHLTPQIPAUJV-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 102662930
3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzoic acid;hydrochloride
CID 166594023
[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662919
[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 106785252
[3-chloro-4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]phenyl]methanamine
CID 107453592
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
CID 102662708
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-3-chloroaniline
CID 55117451
[3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine
CID 102663098
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849
3-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline
CID 64770609
[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 102662791

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine (CID 102662772) is [3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine is CC(C)N1CCN(Cc2ccc(CN)cc2Cl)CC1.
What is the InChIKey of [3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine?
The InChIKey is FAHHLTPQIPAUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-12(2)19-7-5-18(6-8-19)11-14-4-3-13(10-17)9-15(14)16/h3-4,9,12H,5-8,10-11,17H2,1-2H3.
What are the key properties of [3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine?
[3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine has a molecular weight of 281.83 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 102662772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).