3,4-dimethyl-1-phenoxyhexan-3-amine

C14H23NO — CID 115001414

IUPAC3,4-dimethyl-1-phenoxyhexan-3-amine
SMILESCCC(C)C(C)(N)CCOc1ccccc1
InChIInChI=1S/C14H23NO/c1-4-12(2)14(3,15)10-11-16-13-8-6-5-7-9-13/h5-9,12H,4,10-11,15H2,1-3H3
InChIKeyQHSBMRYRCPKGFQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.22
Rot. Bonds6

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

3,4-dimethyl-1-phenoxyhexan-3-amine (PubChem CID 115001414) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3,4-dimethyl-1-phenoxyhexan-3-amine.

Molecular Properties

Compound Name3,4-dimethyl-1-phenoxyhexan-3-amine
PubChem CID115001414
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3,4-dimethyl-1-phenoxyhexan-3-amine
SMILESCCC(C)C(C)(N)CCOc1ccccc1
InChIInChI=1S/C14H23NO/c1-4-12(2)14(3,15)10-11-16-13-8-6-5-7-9-13/h5-9,12H,4,10-11,15H2,1-3H3
InChIKeyQHSBMRYRCPKGFQ-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-1-phenoxypentan-3-amine
CID 114998451
1-(3-bromophenoxy)-3,4-dimethylhexan-3-amine
CID 54971752
3-ethyl-1-phenoxyheptan-3-amine
CID 65020146
3-methyl-1-phenoxypentan-3-ol
CID 139819683
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
CID 62724275
3-methyl-2-(4-propoxyphenyl)pentan-2-amine
CID 55120756
2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 55107238
[3,3-bis(bromomethyl)-4-methylpentoxy]benzene
CID 79456509
2-methyl-1-(2-phenoxyethoxy)butan-2-amine
CID 64573594
2-(2-chlorophenyl)-4-phenoxybutan-2-amine
CID 55096015

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-phenoxyhexan-3-amine?
The IUPAC name of 3,4-dimethyl-1-phenoxyhexan-3-amine (CID 115001414) is 3,4-dimethyl-1-phenoxyhexan-3-amine.
What is the SMILES notation for 3,4-dimethyl-1-phenoxyhexan-3-amine?
The canonical SMILES for 3,4-dimethyl-1-phenoxyhexan-3-amine is CCC(C)C(C)(N)CCOc1ccccc1.
What is the InChIKey of 3,4-dimethyl-1-phenoxyhexan-3-amine?
The InChIKey is QHSBMRYRCPKGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12(2)14(3,15)10-11-16-13-8-6-5-7-9-13/h5-9,12H,4,10-11,15H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-phenoxyhexan-3-amine?
3,4-dimethyl-1-phenoxyhexan-3-amine has a molecular weight of 221.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-phenoxyhexan-3-amine is sourced from PubChem (CID 115001414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).