(3-methoxyphenyl)methanamine

C8H11NO — CID 21156

IUPAC(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CN)c1
InChIInChI=1S/C8H11NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3
InChIKeyGRRIMVWABNHKBX-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.15
Rot. Bonds2

About (3-methoxyphenyl)methanamine

(3-methoxyphenyl)methanamine (PubChem CID 21156) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-methoxyphenyl)methanamine
PubChem CID21156
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CN)c1
InChIInChI=1S/C8H11NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3
InChIKeyGRRIMVWABNHKBX-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-p-Methoxyamphetamine
CID 31721
3-Methoxytoluene
CID 7530
(+-)-2,5-Dimethoxyamphetamine
CID 62787
Vanillylamine
CID 70966
O-Methyltyramine
CID 4657
4-Methoxybenzylamine
CID 75452
4-Methoxybenzyl isothiocyanate
CID 123197
3-Methoxyphenethylamine
CID 74866
2,5-Dimethoxyphenethylamine
CID 76632
4-Methoxy-N-methylbenzeneethanamine
CID 104735
Veratrylamine
CID 79832
2-Ethoxybenzylamine
CID 123465

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methanamine?
The IUPAC name of (3-methoxyphenyl)methanamine (CID 21156) is (3-methoxyphenyl)methanamine.
What is the SMILES notation for (3-methoxyphenyl)methanamine?
The canonical SMILES for (3-methoxyphenyl)methanamine is COc1cccc(CN)c1.
What is the InChIKey of (3-methoxyphenyl)methanamine?
The InChIKey is GRRIMVWABNHKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3.
What are the key properties of (3-methoxyphenyl)methanamine?
(3-methoxyphenyl)methanamine has a molecular weight of 137.18 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methanamine is sourced from PubChem (CID 21156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).