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

C16H27N3O — CID 106785252

IUPAC[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCOc1cc(CN2CCN(C(C)C)CC2)ccc1CN
InChIInChI=1S/C16H27N3O/c1-13(2)19-8-6-18(7-9-19)12-14-4-5-15(11-17)16(10-14)20-3/h4-5,10,13H,6-9,11-12,17H2,1-3H3
InChIKeyXIUBFKYPRCRTML-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.68
Rot. Bonds5

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

[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine (PubChem CID 106785252) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
PubChem CID106785252
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCOc1cc(CN2CCN(C(C)C)CC2)ccc1CN
InChIInChI=1S/C16H27N3O/c1-13(2)19-8-6-18(7-9-19)12-14-4-5-15(11-17)16(10-14)20-3/h4-5,10,13H,6-9,11-12,17H2,1-3H3
InChIKeyXIUBFKYPRCRTML-UHFFFAOYSA-N
XLogP1.68
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
CID 106785322
1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol
CID 106835613
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-methylpiperidin-4-ol
CID 106785659
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 828691
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-3,4-diol
CID 106785777
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461
[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785590
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1,4-diazepan-5-one
CID 106785491
[4-(azepan-1-ylmethyl)-2-propan-2-yloxyphenyl]methanamine
CID 84754923

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine (CID 106785252) is [2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine is COc1cc(CN2CCN(C(C)C)CC2)ccc1CN.
What is the InChIKey of [2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine?
The InChIKey is XIUBFKYPRCRTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)19-8-6-18(7-9-19)12-14-4-5-15(11-17)16(10-14)20-3/h4-5,10,13H,6-9,11-12,17H2,1-3H3.
What are the key properties of [2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine?
[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 106785252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).