N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine

C14H23NO — CID 82224262

IUPACN-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCc1cc(CNCC(C)C)ccc1OC
InChIInChI=1S/C14H23NO/c1-5-13-8-12(6-7-14(13)16-4)10-15-9-11(2)3/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyXJZUBYKZPFTOQG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds6

About N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine

N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 82224262) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID82224262
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCc1cc(CNCC(C)C)ccc1OC
InChIInChI=1S/C14H23NO/c1-5-13-8-12(6-7-14(13)16-4)10-15-9-11(2)3/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyXJZUBYKZPFTOQG-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Analyze N-[(3-ethyl-4-methoxyphenyl)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

2-amino-3-[(3-ethyl-4-methoxyphenyl)methylamino]propanoic acid
CID 115240676
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
2-[(3-ethyl-4-methoxyphenyl)methylamino]acetonitrile
CID 115130978
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline
CID 84754564
N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057486
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65176463
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
N-[[4-methoxy-3-(2-methylpropylsulfanylmethyl)phenyl]methyl]ethanamine
CID 64610295
N-[[3-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106033
N-[[4-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106899
N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63058330

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine (CID 82224262) is N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine is CCc1cc(CNCC(C)C)ccc1OC.
What is the InChIKey of N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is XJZUBYKZPFTOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-13-8-12(6-7-14(13)16-4)10-15-9-11(2)3/h6-8,11,15H,5,9-10H2,1-4H3.
What are the key properties of N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82224262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).