N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine

C16H26N2O — CID 115249649

IUPACN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(C)(C)CNCC2(CN)COC2)cc1
InChIInChI=1S/C16H26N2O/c1-13-4-6-14(7-5-13)15(2,3)9-18-10-16(8-17)11-19-12-16/h4-7,18H,8-12,17H2,1-3H3
InChIKeyJRPIIRMPPJYXRG-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.84
Rot. Bonds6

About N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine (PubChem CID 115249649) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine
PubChem CID115249649
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(C)(C)CNCC2(CN)COC2)cc1
InChIInChI=1S/C16H26N2O/c1-13-4-6-14(7-5-13)15(2,3)9-18-10-16(8-17)11-19-12-16/h4-7,18H,8-12,17H2,1-3H3
InChIKeyJRPIIRMPPJYXRG-UHFFFAOYSA-N
XLogP1.84
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115249662
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine
CID 115244439
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 115244454
[3-[(4-methylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930448
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine
CID 115245998
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2,4,6-trimethylphenyl)ethanamine
CID 115249565
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,3,4-trimethylphenyl)methanamine
CID 115249465
3-methyl-1-N-[2-methyl-2-(4-methylphenyl)propyl]butane-1,3-diamine
CID 115200921
3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile
CID 115248242
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(5-bromo-2-methylphenyl)ethanamine
CID 115249579
2-methyl-2-(4-methylphenyl)propan-1-amine;propane
CID 143028408
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115249546

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine (CID 115249649) is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine is Cc1ccc(C(C)(C)CNCC2(CN)COC2)cc1.
What is the InChIKey of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine?
The InChIKey is JRPIIRMPPJYXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-4-6-14(7-5-13)15(2,3)9-18-10-16(8-17)11-19-12-16/h4-7,18H,8-12,17H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine?
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 115249649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).