3,4-dimethyl-1-phenoxypentan-3-amine

C13H21NO — CID 114998451

IUPAC3,4-dimethyl-1-phenoxypentan-3-amine
SMILESCC(C)C(C)(N)CCOc1ccccc1
InChIInChI=1S/C13H21NO/c1-11(2)13(3,14)9-10-15-12-7-5-4-6-8-12/h4-8,11H,9-10,14H2,1-3H3
InChIKeyCKBTXQJLQNWCQR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.83
Rot. Bonds5

About 3,4-dimethyl-1-phenoxypentan-3-amine

3,4-dimethyl-1-phenoxypentan-3-amine (PubChem CID 114998451) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3,4-dimethyl-1-phenoxypentan-3-amine.

Molecular Properties

Compound Name3,4-dimethyl-1-phenoxypentan-3-amine
PubChem CID114998451
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3,4-dimethyl-1-phenoxypentan-3-amine
SMILESCC(C)C(C)(N)CCOc1ccccc1
InChIInChI=1S/C13H21NO/c1-11(2)13(3,14)9-10-15-12-7-5-4-6-8-12/h4-8,11H,9-10,14H2,1-3H3
InChIKeyCKBTXQJLQNWCQR-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-1-phenoxyhexan-3-amine
CID 115001414
[3,3-bis(bromomethyl)-4-methylpentoxy]benzene
CID 79456509
3-ethyl-1-phenoxyheptan-3-amine
CID 65020146
2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
2-(2-chlorophenyl)-4-phenoxybutan-2-amine
CID 55096015
1-(3-bromophenoxy)-3,4-dimethylhexan-3-amine
CID 54971752
(2,2-dimethyl-4-phenoxybutyl)benzene
CID 145278687
3-methyl-1-phenoxypentan-3-ol
CID 139819683
2,2-dimethyl-4-phenoxybutanenitrile
CID 65251813
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine
CID 83151570

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-phenoxypentan-3-amine?
The IUPAC name of 3,4-dimethyl-1-phenoxypentan-3-amine (CID 114998451) is 3,4-dimethyl-1-phenoxypentan-3-amine.
What is the SMILES notation for 3,4-dimethyl-1-phenoxypentan-3-amine?
The canonical SMILES for 3,4-dimethyl-1-phenoxypentan-3-amine is CC(C)C(C)(N)CCOc1ccccc1.
What is the InChIKey of 3,4-dimethyl-1-phenoxypentan-3-amine?
The InChIKey is CKBTXQJLQNWCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)13(3,14)9-10-15-12-7-5-4-6-8-12/h4-8,11H,9-10,14H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-phenoxypentan-3-amine?
3,4-dimethyl-1-phenoxypentan-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-phenoxypentan-3-amine is sourced from PubChem (CID 114998451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).