N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine

C16H27NO — CID 55156686

IUPACN-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine
SMILESCNC(C)C(CCCOc1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)16(14(3)17-4)11-8-12-18-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17H,8,11-12H2,1-4H3
InChIKeyAFWBBXMZXMECLY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.73
Rot. Bonds8

About N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine

N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine (PubChem CID 55156686) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine.

Molecular Properties

Compound NameN-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine
PubChem CID55156686
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine
SMILESCNC(C)C(CCCOc1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)16(14(3)17-4)11-8-12-18-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17H,8,11-12H2,1-4H3
InChIKeyAFWBBXMZXMECLY-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
1-(4-methylpentoxy)-4-phenylbenzene
CID 19777688
2,3-dimethyl-6-phenoxyhexanoic acid
CID 81008154
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
4-methyl-7-phenoxyheptan-3-ol
CID 63562397
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine
CID 55155535
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
N-methyl-3-phenoxypropan-1-amine
CID 22067856
3-propan-2-ylsulfanylpropoxybenzene
CID 30619859
2-phenoxyethyl 3,7-dimethyloctanoate
CID 59236958

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine?
The IUPAC name of N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine (CID 55156686) is N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine.
What is the SMILES notation for N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine?
The canonical SMILES for N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine is CNC(C)C(CCCOc1ccccc1)C(C)C.
What is the InChIKey of N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine?
The InChIKey is AFWBBXMZXMECLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)16(14(3)17-4)11-8-12-18-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17H,8,11-12H2,1-4H3.
What are the key properties of N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine?
N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine is sourced from PubChem (CID 55156686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).