2-methyl-2-(phenylmethoxymethyl)butan-1-amine

C13H21NO — CID 102940469

IUPAC2-methyl-2-(phenylmethoxymethyl)butan-1-amine
SMILESCCC(C)(CN)COCc1ccccc1
InChIInChI=1S/C13H21NO/c1-3-13(2,10-14)11-15-9-12-7-5-4-6-8-12/h4-8H,3,9-11,14H2,1-2H3
InChIKeyVENGSAHLCYWIMP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.58
Rot. Bonds6

About 2-methyl-2-(phenylmethoxymethyl)butan-1-amine

2-methyl-2-(phenylmethoxymethyl)butan-1-amine (PubChem CID 102940469) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-2-(phenylmethoxymethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(phenylmethoxymethyl)butan-1-amine
PubChem CID102940469
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-2-(phenylmethoxymethyl)butan-1-amine
SMILESCCC(C)(CN)COCc1ccccc1
InChIInChI=1S/C13H21NO/c1-3-13(2,10-14)11-15-9-12-7-5-4-6-8-12/h4-8H,3,9-11,14H2,1-2H3
InChIKeyVENGSAHLCYWIMP-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(phenylmethoxymethyl)butan-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

[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
CID 166487361
2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine
CID 130537173
N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
CID 102940521
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724
2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol
CID 15348373
N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940499
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296
(213C)ethoxymethylbenzene
CID 87947851
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(phenylmethoxymethyl)butan-1-amine?
The IUPAC name of 2-methyl-2-(phenylmethoxymethyl)butan-1-amine (CID 102940469) is 2-methyl-2-(phenylmethoxymethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-2-(phenylmethoxymethyl)butan-1-amine?
The canonical SMILES for 2-methyl-2-(phenylmethoxymethyl)butan-1-amine is CCC(C)(CN)COCc1ccccc1.
What is the InChIKey of 2-methyl-2-(phenylmethoxymethyl)butan-1-amine?
The InChIKey is VENGSAHLCYWIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-13(2,10-14)11-15-9-12-7-5-4-6-8-12/h4-8H,3,9-11,14H2,1-2H3.
What are the key properties of 2-methyl-2-(phenylmethoxymethyl)butan-1-amine?
2-methyl-2-(phenylmethoxymethyl)butan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(phenylmethoxymethyl)butan-1-amine is sourced from PubChem (CID 102940469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).