(2-ethoxyphenyl)methanamine;undecan-1-amine

C20H38N2O — CID 158338223

IUPAC(2-ethoxyphenyl)methanamine;undecan-1-amine
SMILESCCCCCCCCCCCN.CCOc1ccccc1CN
InChIInChI=1S/C11H25N.C9H13NO/c1-2-3-4-5-6-7-8-9-10-11-12;1-2-11-9-6-4-3-5-8(9)7-10/h2-12H2,1H3;3-6H,2,7,10H2,1H3
InChIKeyGQVPJHFGRMKAFS-UHFFFAOYSA-N
MW322.54 g/mol
LogP5.02
Rot. Bonds12

About (2-ethoxyphenyl)methanamine;undecan-1-amine

(2-ethoxyphenyl)methanamine;undecan-1-amine (PubChem CID 158338223) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is (2-ethoxyphenyl)methanamine;undecan-1-amine.

Molecular Properties

Compound Name(2-ethoxyphenyl)methanamine;undecan-1-amine
PubChem CID158338223
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name(2-ethoxyphenyl)methanamine;undecan-1-amine
SMILESCCCCCCCCCCCN.CCOc1ccccc1CN
InChIInChI=1S/C11H25N.C9H13NO/c1-2-3-4-5-6-7-8-9-10-11-12;1-2-11-9-6-4-3-5-8(9)7-10/h2-12H2,1H3;3-6H,2,7,10H2,1H3
InChIKeyGQVPJHFGRMKAFS-UHFFFAOYSA-N
XLogP5.02
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-2-ethoxybenzene
CID 175243335
6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride
CID 164512453
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
1-ethyl-2-heptoxybenzene
CID 22723794
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470
(2-heptylphenyl)methanamine
CID 57355618
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-butyl-2-nonoxybenzene
CID 118255282

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methanamine;undecan-1-amine?
The IUPAC name of (2-ethoxyphenyl)methanamine;undecan-1-amine (CID 158338223) is (2-ethoxyphenyl)methanamine;undecan-1-amine.
What is the SMILES notation for (2-ethoxyphenyl)methanamine;undecan-1-amine?
The canonical SMILES for (2-ethoxyphenyl)methanamine;undecan-1-amine is CCCCCCCCCCCN.CCOc1ccccc1CN.
What is the InChIKey of (2-ethoxyphenyl)methanamine;undecan-1-amine?
The InChIKey is GQVPJHFGRMKAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C9H13NO/c1-2-3-4-5-6-7-8-9-10-11-12;1-2-11-9-6-4-3-5-8(9)7-10/h2-12H2,1H3;3-6H,2,7,10H2,1H3.
What are the key properties of (2-ethoxyphenyl)methanamine;undecan-1-amine?
(2-ethoxyphenyl)methanamine;undecan-1-amine has a molecular weight of 322.54 g/mol, XLogP of 5.02, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methanamine;undecan-1-amine is sourced from PubChem (CID 158338223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).