N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine

C13H21NO — CID 94681294

IUPACN,2-dimethyl-4-(2-methylphenoxy)butan-2-amine
SMILESCNC(C)(C)CCOc1ccccc1C
InChIInChI=1S/C13H21NO/c1-11-7-5-6-8-12(11)15-10-9-13(2,3)14-4/h5-8,14H,9-10H2,1-4H3
InChIKeySWBYCPBLXJEXBO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds5

About N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine

N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine (PubChem CID 94681294) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-4-(2-methylphenoxy)butan-2-amine
PubChem CID94681294
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,2-dimethyl-4-(2-methylphenoxy)butan-2-amine
SMILESCNC(C)(C)CCOc1ccccc1C
InChIInChI=1S/C13H21NO/c1-11-7-5-6-8-12(11)15-10-9-13(2,3)14-4/h5-8,14H,9-10H2,1-4H3
InChIKeySWBYCPBLXJEXBO-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-1-(2-methylphenoxy)propan-2-amine
CID 82125739
N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine
CID 94686635
2,2-dimethyl-4-(2-methylphenoxy)butanoic acid
CID 65248196
2-(ethylamino)-2-methyl-4-(2-methylphenoxy)butan-1-ol
CID 64803345
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine
CID 94693280
1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
CID 158477998
2,2-dimethyl-5-(2-methylphenoxy)pentanethioamide
CID 65259553
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
4-(2-methylphenoxy)butane-1-thiol
CID 2063623

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine?
The IUPAC name of N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine (CID 94681294) is N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine.
What is the SMILES notation for N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine?
The canonical SMILES for N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine is CNC(C)(C)CCOc1ccccc1C.
What is the InChIKey of N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine?
The InChIKey is SWBYCPBLXJEXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-7-5-6-8-12(11)15-10-9-13(2,3)14-4/h5-8,14H,9-10H2,1-4H3.
What are the key properties of N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine?
N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine is sourced from PubChem (CID 94681294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).