1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine

C16H27NO — CID 62042987

IUPAC1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine
SMILESCCCC(COc1ccccc1C(C)CC)NC
InChIInChI=1S/C16H27NO/c1-5-9-14(17-4)12-18-16-11-8-7-10-15(16)13(3)6-2/h7-8,10-11,13-14,17H,5-6,9,12H2,1-4H3
InChIKeyJLRMWBCKLSGMHS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.97
Rot. Bonds8

About 1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine

1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine (PubChem CID 62042987) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine
PubChem CID62042987
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine
SMILESCCCC(COc1ccccc1C(C)CC)NC
InChIInChI=1S/C16H27NO/c1-5-9-14(17-4)12-18-16-11-8-7-10-15(16)13(3)6-2/h7-8,10-11,13-14,17H,5-6,9,12H2,1-4H3
InChIKeyJLRMWBCKLSGMHS-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-butan-2-ylphenoxy)-N-methylpentan-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-methyl-1-(2-methylphenoxy)pentan-2-amine
CID 62044744
N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 62043196
1-[2-(bromomethyl)-3-methylbutoxy]-2-butan-2-ylbenzene
CID 65012453
1-(2,3-difluorophenoxy)-N-methylpentan-2-amine
CID 63038671
2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol
CID 64804789
2-(2-butan-2-ylphenoxy)-1-phenylethanamine
CID 43099395
4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978
N-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738
methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate
CID 63041617
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 5000223

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine?
The IUPAC name of 1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine (CID 62042987) is 1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine.
What is the SMILES notation for 1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine?
The canonical SMILES for 1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine is CCCC(COc1ccccc1C(C)CC)NC.
What is the InChIKey of 1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine?
The InChIKey is JLRMWBCKLSGMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-9-14(17-4)12-18-16-11-8-7-10-15(16)13(3)6-2/h7-8,10-11,13-14,17H,5-6,9,12H2,1-4H3.
What are the key properties of 1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine?
1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine is sourced from PubChem (CID 62042987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).