2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one

C19H22Cl2N2O — CID 151068715

IUPAC2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one
SMILESCC(C(=O)C(C)c1cc(Cl)ccc1CN)c1cc(Cl)ccc1CN
InChIInChI=1S/C19H22Cl2N2O/c1-11(17-7-15(20)5-3-13(17)9-22)19(24)12(2)18-8-16(21)6-4-14(18)10-23/h3-8,11-12H,9-10,22-23H2,1-2H3
InChIKeyMHRFCSBGPUYMOH-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.39
Rot. Bonds6

About 2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one

2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one (PubChem CID 151068715) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one.

Molecular Properties

Compound Name2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one
PubChem CID151068715
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one
SMILESCC(C(=O)C(C)c1cc(Cl)ccc1CN)c1cc(Cl)ccc1CN
InChIInChI=1S/C19H22Cl2N2O/c1-11(17-7-15(20)5-3-13(17)9-22)19(24)12(2)18-8-16(21)6-4-14(18)10-23/h3-8,11-12H,9-10,22-23H2,1-2H3
InChIKeyMHRFCSBGPUYMOH-UHFFFAOYSA-N
XLogP4.39
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(bromomethyl)-5-chlorophenyl]propanoic acid
CID 25169539
(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol
CID 151263607
2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one
CID 84678785
4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one
CID 116564374
2-(aminomethyl)-4-chloro-6-propan-2-ylphenol
CID 82265863
2-(2,5-dichlorophenyl)propanoyl chloride
CID 117047606
[4-chloro-2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63082490
3-[2-(aminomethyl)-5-chlorophenyl]sulfanylbutan-1-ol
CID 114864987
2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide
CID 113277203
2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
CID 63081108
(4-chloro-2-methylsulfinylphenyl)methanamine
CID 68917399
6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116607435

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one?
The IUPAC name of 2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one (CID 151068715) is 2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one.
What is the SMILES notation for 2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one?
The canonical SMILES for 2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one is CC(C(=O)C(C)c1cc(Cl)ccc1CN)c1cc(Cl)ccc1CN.
What is the InChIKey of 2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one?
The InChIKey is MHRFCSBGPUYMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-11(17-7-15(20)5-3-13(17)9-22)19(24)12(2)18-8-16(21)6-4-14(18)10-23/h3-8,11-12H,9-10,22-23H2,1-2H3.
What are the key properties of 2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one?
2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one has a molecular weight of 365.30 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one is sourced from PubChem (CID 151068715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).