N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine

C19H33NO2 — CID 4722949

IUPACN-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCCOc1ccc(CNC(C)(C)CC(C)(C)C)cc1OCC
InChIInChI=1S/C19H33NO2/c1-8-21-16-11-10-15(12-17(16)22-9-2)13-20-19(6,7)14-18(3,4)5/h10-12,20H,8-9,13-14H2,1-7H3
InChIKeyIFZLKWYUQWUBKF-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.79
Rot. Bonds8

About N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine

N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 4722949) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
PubChem CID4722949
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCCOc1ccc(CNC(C)(C)CC(C)(C)C)cc1OCC
InChIInChI=1S/C19H33NO2/c1-8-21-16-11-10-15(12-17(16)22-9-2)13-20-19(6,7)14-18(3,4)5/h10-12,20H,8-9,13-14H2,1-7H3
InChIKeyIFZLKWYUQWUBKF-UHFFFAOYSA-N
XLogP4.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-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

N-[(3-chloro-4-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17158461
N-tert-butyl-2-[2-ethoxy-4-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
CID 4722934
2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 29228499
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine
CID 115621687
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 4109207
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 4722948
2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 2990447
N-[[4-(3-chloroprop-2-enoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-2-amine
CID 76983242
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 17158474
N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 2242368
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 4722968

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine (CID 4722949) is N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine is CCOc1ccc(CNC(C)(C)CC(C)(C)C)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is IFZLKWYUQWUBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-8-21-16-11-10-15(12-17(16)22-9-2)13-20-19(6,7)14-18(3,4)5/h10-12,20H,8-9,13-14H2,1-7H3.
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 307.48 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 4722949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).