N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine

C13H21NO — CID 961342

IUPACN-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCOc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C13H21NO/c1-4-15-13-7-5-12(6-8-13)10-14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyZVBYSABMXRGBPX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.83
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine

N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 961342) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID961342
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCOc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C13H21NO/c1-4-15-13-7-5-12(6-8-13)10-14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyZVBYSABMXRGBPX-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-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

N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol
CID 103631774
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43096585
N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
3-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491976
N-[[4-(2-ethylsulfanylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113473373
N-[(4-but-2-ynoxyphenyl)methyl]-2-methylpropan-1-amine
CID 55146246
N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405276

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine (CID 961342) is N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine is CCOc1ccc(CNCC(C)C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is ZVBYSABMXRGBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-15-13-7-5-12(6-8-13)10-14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 961342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).