[3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine

C23H33N3 — CID 174866108

IUPAC[3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine
SMILESCc1cc(-c2cccc(CN)c2)ccc1CN1CCN(CC(C)C)CC1
InChIInChI=1S/C23H33N3/c1-18(2)16-25-9-11-26(12-10-25)17-23-8-7-22(13-19(23)3)21-6-4-5-20(14-21)15-24/h4-8,13-14,18H,9-12,15-17,24H2,1-3H3
InChIKeyJTJUYFOYBVRWIG-UHFFFAOYSA-N
MW351.54 g/mol
LogP3.89
Rot. Bonds6

About [3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine

[3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine (PubChem CID 174866108) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is [3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine
PubChem CID174866108
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC Name[3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine
SMILESCc1cc(-c2cccc(CN)c2)ccc1CN1CCN(CC(C)C)CC1
InChIInChI=1S/C23H33N3/c1-18(2)16-25-9-11-26(12-10-25)17-23-8-7-22(13-19(23)3)21-6-4-5-20(14-21)15-24/h4-8,13-14,18H,9-12,15-17,24H2,1-3H3
InChIKeyJTJUYFOYBVRWIG-UHFFFAOYSA-N
XLogP3.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine
CID 123946269
1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine
CID 123373563
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443
2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 112553363
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
[3-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 10891323
[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
CID 80729487
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 62777259
2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 78907234

Frequently Asked Questions

What is the IUPAC name of [3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine?
The IUPAC name of [3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine (CID 174866108) is [3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine.
What is the SMILES notation for [3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine?
The canonical SMILES for [3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine is Cc1cc(-c2cccc(CN)c2)ccc1CN1CCN(CC(C)C)CC1.
What is the InChIKey of [3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine?
The InChIKey is JTJUYFOYBVRWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3/c1-18(2)16-25-9-11-26(12-10-25)17-23-8-7-22(13-19(23)3)21-6-4-5-20(14-21)15-24/h4-8,13-14,18H,9-12,15-17,24H2,1-3H3.
What are the key properties of [3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine?
[3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine has a molecular weight of 351.54 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine is sourced from PubChem (CID 174866108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).