N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine

C17H29NO — CID 141046918

IUPACN-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine
SMILESCCN(CCCCCCOc1ccccc1)C(C)C
InChIInChI=1S/C17H29NO/c1-4-18(16(2)3)14-10-5-6-11-15-19-17-12-8-7-9-13-17/h7-9,12-13,16H,4-6,10-11,14-15H2,1-3H3
InChIKeyVFVLUHCZPDAJHQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.36
Rot. Bonds10

About N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine

N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine (PubChem CID 141046918) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine
PubChem CID141046918
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine
SMILESCCN(CCCCCCOc1ccccc1)C(C)C
InChIInChI=1S/C17H29NO/c1-4-18(16(2)3)14-10-5-6-11-15-19-17-12-8-7-9-13-17/h7-9,12-13,16H,4-6,10-11,14-15H2,1-3H3
InChIKeyVFVLUHCZPDAJHQ-UHFFFAOYSA-N
XLogP4.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid
CID 55027827
4-[3-[ethyl(propan-2-yl)amino]propoxy]benzoic acid
CID 63068770
3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine
CID 43265457
N-butan-2-yl-N-ethyl-5-(4-methylphenoxy)pentan-1-amine iodide
CID 157424944
pentoxybenzene;undecane
CID 174778179
N-butan-2-yl-N-ethyl-4-(3-methylphenoxy)butan-1-amine
CID 20829003
10-methyldodecoxybenzene
CID 143389992
3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614336
3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide
CID 62937826
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine
CID 43265455
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine?
The IUPAC name of N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine (CID 141046918) is N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine?
The canonical SMILES for N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine is CCN(CCCCCCOc1ccccc1)C(C)C.
What is the InChIKey of N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine?
The InChIKey is VFVLUHCZPDAJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-18(16(2)3)14-10-5-6-11-15-19-17-12-8-7-9-13-17/h7-9,12-13,16H,4-6,10-11,14-15H2,1-3H3.
What are the key properties of N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine?
N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 141046918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).