N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine

C13H21NO — CID 114998432

IUPACN,2-dimethyl-2-(2-phenylethoxy)propan-1-amine
SMILESCNCC(C)(C)OCCc1ccccc1
InChIInChI=1S/C13H21NO/c1-13(2,11-14-3)15-10-9-12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3
InChIKeyPMUFMHMDZCWTRB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.24
Rot. Bonds6

About N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine

N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine (PubChem CID 114998432) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(2-phenylethoxy)propan-1-amine
PubChem CID114998432
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,2-dimethyl-2-(2-phenylethoxy)propan-1-amine
SMILESCNCC(C)(C)OCCc1ccccc1
InChIInChI=1S/C13H21NO/c1-13(2,11-14-3)15-10-9-12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3
InChIKeyPMUFMHMDZCWTRB-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2-dimethyl-2-(2-phenylethoxy)propan-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-ethyl-2-methyl-2-(3-phenylpropoxy)propan-1-amine
CID 55063095
1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 134204316
2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine
CID 115003008
2-methyl-2-(3-phenylpropoxy)propan-1-amine
CID 62354830
2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine
CID 82832000
CID 173371291
CID 173371291
2-methyl-2-(4-phenylbutoxy)propan-1-amine
CID 114332862
2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine
CID 62354804
2-methoxyethylbenzene
CID 19089
N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride
CID 122240236
CID 11412729
CID 11412729
2-ethyl-2-(2-phenylethoxy)butanoic acid
CID 114992375

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine?
The IUPAC name of N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine (CID 114998432) is N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine?
The canonical SMILES for N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine is CNCC(C)(C)OCCc1ccccc1.
What is the InChIKey of N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine?
The InChIKey is PMUFMHMDZCWTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,11-14-3)15-10-9-12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3.
What are the key properties of N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine?
N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine is sourced from PubChem (CID 114998432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).