N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine

C16H27NO — CID 63843803

IUPACN-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
SMILESCCOc1ccccc1CNC(C)C(CC)CC
InChIInChI=1S/C16H27NO/c1-5-14(6-2)13(4)17-12-15-10-8-9-11-16(15)18-7-3/h8-11,13-14,17H,5-7,12H2,1-4H3
InChIKeyMEUBZXUQFFBMDF-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.00
Rot. Bonds8

About N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine

N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine (PubChem CID 63843803) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
PubChem CID63843803
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
SMILESCCOc1ccccc1CNC(C)C(CC)CC
InChIInChI=1S/C16H27NO/c1-5-14(6-2)13(4)17-12-15-10-8-9-11-16(15)18-7-3/h8-11,13-14,17H,5-7,12H2,1-4H3
InChIKeyMEUBZXUQFFBMDF-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 55259412
N-[(2-ethoxyphenyl)methyl]pentan-2-amine
CID 43177718
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652621
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43234899
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 115591499
1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 43221588
2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 43674958
1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43673993
N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588290

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine (CID 63843803) is N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine is CCOc1ccccc1CNC(C)C(CC)CC.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine?
The InChIKey is MEUBZXUQFFBMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-14(6-2)13(4)17-12-15-10-8-9-11-16(15)18-7-3/h8-11,13-14,17H,5-7,12H2,1-4H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine?
N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine is sourced from PubChem (CID 63843803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).