N,3-dimethyl-1-phenoxyhexan-2-amine

C14H23NO — CID 107893778

IUPACN,3-dimethyl-1-phenoxyhexan-2-amine
SMILESCCCC(C)C(COc1ccccc1)NC
InChIInChI=1S/C14H23NO/c1-4-8-12(2)14(15-3)11-16-13-9-6-5-7-10-13/h5-7,9-10,12,14-15H,4,8,11H2,1-3H3
InChIKeyHEBBBSGIVNAXAK-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.09
Rot. Bonds7

About N,3-dimethyl-1-phenoxyhexan-2-amine

N,3-dimethyl-1-phenoxyhexan-2-amine (PubChem CID 107893778) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N,3-dimethyl-1-phenoxyhexan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-phenoxyhexan-2-amine
PubChem CID107893778
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN,3-dimethyl-1-phenoxyhexan-2-amine
SMILESCCCC(C)C(COc1ccccc1)NC
InChIInChI=1S/C14H23NO/c1-4-8-12(2)14(15-3)11-16-13-9-6-5-7-10-13/h5-7,9-10,12,14-15H,4,8,11H2,1-3H3
InChIKeyHEBBBSGIVNAXAK-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-1-phenoxypentan-2-yl)hydrazine
CID 105213082
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
CID 63474716
N,4-dimethyl-1-pyridin-2-ylheptan-3-amine
CID 107894010
N-methyl-1-phenoxynonan-2-amine
CID 63416660
[(2S,3R)-2,3-difluorohexoxy]benzene
CID 97103069
3-methylhexan-2-yloxybenzene
CID 150585965
N-ethyl-4-methyl-1-phenoxyheptan-2-amine
CID 62715859
4-methyl-7-phenoxy-N-propylheptan-3-amine
CID 63560800
1-ethoxy-N-methyl-3-phenoxypropan-2-amine
CID 79574032
methyl 2-(phenoxymethyl)pentanoate
CID 117242093
2,6-dimethyltetradecoxybenzene
CID 163303720
2,6-dimethyldodecoxybenzene
CID 163303723

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-phenoxyhexan-2-amine?
The IUPAC name of N,3-dimethyl-1-phenoxyhexan-2-amine (CID 107893778) is N,3-dimethyl-1-phenoxyhexan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-phenoxyhexan-2-amine?
The canonical SMILES for N,3-dimethyl-1-phenoxyhexan-2-amine is CCCC(C)C(COc1ccccc1)NC.
What is the InChIKey of N,3-dimethyl-1-phenoxyhexan-2-amine?
The InChIKey is HEBBBSGIVNAXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-8-12(2)14(15-3)11-16-13-9-6-5-7-10-13/h5-7,9-10,12,14-15H,4,8,11H2,1-3H3.
What are the key properties of N,3-dimethyl-1-phenoxyhexan-2-amine?
N,3-dimethyl-1-phenoxyhexan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-phenoxyhexan-2-amine is sourced from PubChem (CID 107893778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).