3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol

C16H26N2O — CID 102860571

IUPAC3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol
SMILESCc1cc(CN)ccc1CN(CCCO)C1CCC1
InChIInChI=1S/C16H26N2O/c1-13-10-14(11-17)6-7-15(13)12-18(8-3-9-19)16-4-2-5-16/h6-7,10,16,19H,2-5,8-9,11-12,17H2,1H3
InChIKeyFRKUSQJNPKEGAU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.19
Rot. Bonds7

About 3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol

3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol (PubChem CID 102860571) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol
PubChem CID102860571
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol
SMILESCc1cc(CN)ccc1CN(CCCO)C1CCC1
InChIInChI=1S/C16H26N2O/c1-13-10-14(11-17)6-7-15(13)12-18(8-3-9-19)16-4-2-5-16/h6-7,10,16,19H,2-5,8-9,11-12,17H2,1H3
InChIKeyFRKUSQJNPKEGAU-UHFFFAOYSA-N
XLogP2.19
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860629
2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide
CID 114478704
3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol
CID 106869320
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol
CID 102860586
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine
CID 61481667
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine
CID 102771592
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 102848805
4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 102873667

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol (CID 102860571) is 3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol is Cc1cc(CN)ccc1CN(CCCO)C1CCC1.
What is the InChIKey of 3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol?
The InChIKey is FRKUSQJNPKEGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-10-14(11-17)6-7-15(13)12-18(8-3-9-19)16-4-2-5-16/h6-7,10,16,19H,2-5,8-9,11-12,17H2,1H3.
What are the key properties of 3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol?
3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102860571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).