1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine

C18H31N3 — CID 62775535

IUPAC1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
SMILESCc1ccccc1C(N)CCN1CCN(CC(C)C)CC1
InChIInChI=1S/C18H31N3/c1-15(2)14-21-12-10-20(11-13-21)9-8-18(19)17-7-5-4-6-16(17)3/h4-7,15,18H,8-14,19H2,1-3H3
InChIKeyRTODPISALVBFJC-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.66
Rot. Bonds6

About 1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine

1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine (PubChem CID 62775535) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
PubChem CID62775535
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
SMILESCc1ccccc1C(N)CCN1CCN(CC(C)C)CC1
InChIInChI=1S/C18H31N3/c1-15(2)14-21-12-10-20(11-13-21)9-8-18(19)17-7-5-4-6-16(17)3/h4-7,15,18H,8-14,19H2,1-3H3
InChIKeyRTODPISALVBFJC-UHFFFAOYSA-N
XLogP2.66
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylpiperazin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 62625581
1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62778017
2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 103538996
1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol
CID 114681980
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467
1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
3-(1-chloroethylsulfonyl)-1-(2-methylphenyl)propan-1-amine
CID 139790422
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 16795154
1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62623999
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 62629564
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine
CID 63611043

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine (CID 62775535) is 1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine is Cc1ccccc1C(N)CCN1CCN(CC(C)C)CC1.
What is the InChIKey of 1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The InChIKey is RTODPISALVBFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)14-21-12-10-20(11-13-21)9-8-18(19)17-7-5-4-6-16(17)3/h4-7,15,18H,8-14,19H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62775535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).