(2-decoxy-3-methylphenyl)methanamine

C18H31NO — CID 115951875

IUPAC(2-decoxy-3-methylphenyl)methanamine
SMILESCCCCCCCCCCOc1c(C)cccc1CN
InChIInChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-14-20-18-16(2)12-11-13-17(18)15-19/h11-13H,3-10,14-15,19H2,1-2H3
InChIKeyQBAVMNGAPAYBMB-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.97
Rot. Bonds11

About (2-decoxy-3-methylphenyl)methanamine

(2-decoxy-3-methylphenyl)methanamine (PubChem CID 115951875) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (2-decoxy-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-decoxy-3-methylphenyl)methanamine
PubChem CID115951875
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(2-decoxy-3-methylphenyl)methanamine
SMILESCCCCCCCCCCOc1c(C)cccc1CN
InChIInChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-14-20-18-16(2)12-11-13-17(18)15-19/h11-13H,3-10,14-15,19H2,1-2H3
InChIKeyQBAVMNGAPAYBMB-UHFFFAOYSA-N
XLogP4.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-decoxy-1,3-dimethylbenzene
CID 83057478
(2-decoxy-3-methylphenyl)methanol
CID 115956202
1-(bromomethyl)-2-hexoxy-3-methylbenzene
CID 112614137
1-(bromomethyl)-3-methyl-2-octoxybenzene
CID 112614072
(3-bromo-2-decoxyphenyl)methanamine
CID 63500475
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
N-[(2-heptoxy-3-methylphenyl)methyl]propan-2-amine
CID 115954021
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242

Frequently Asked Questions

What is the IUPAC name of (2-decoxy-3-methylphenyl)methanamine?
The IUPAC name of (2-decoxy-3-methylphenyl)methanamine (CID 115951875) is (2-decoxy-3-methylphenyl)methanamine.
What is the SMILES notation for (2-decoxy-3-methylphenyl)methanamine?
The canonical SMILES for (2-decoxy-3-methylphenyl)methanamine is CCCCCCCCCCOc1c(C)cccc1CN.
What is the InChIKey of (2-decoxy-3-methylphenyl)methanamine?
The InChIKey is QBAVMNGAPAYBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-14-20-18-16(2)12-11-13-17(18)15-19/h11-13H,3-10,14-15,19H2,1-2H3.
What are the key properties of (2-decoxy-3-methylphenyl)methanamine?
(2-decoxy-3-methylphenyl)methanamine has a molecular weight of 277.45 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-decoxy-3-methylphenyl)methanamine is sourced from PubChem (CID 115951875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).