6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine

C18H31NO — CID 106800707

IUPAC6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-16(19-7-2)9-8-14-20-17-12-10-15(11-13-17)18(3,4)5/h10-13,16,19H,6-9,14H2,1-5H3
InChIKeySSVPMWKPGPHFMW-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.53
Rot. Bonds8

About 6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine

6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine (PubChem CID 106800707) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine
PubChem CID106800707
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-16(19-7-2)9-8-14-20-17-12-10-15(11-13-17)18(3,4)5/h10-13,16,19H,6-9,14H2,1-5H3
InChIKeySSVPMWKPGPHFMW-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.53
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

6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine
CID 106800724
6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine
CID 106800899
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
N-ethyl-6-quinolin-7-yloxyhexan-3-amine
CID 107313514
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
4-butoxy-N-[2-(4-tert-butylphenoxy)ethyl]aniline
CID 54799238
1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
CID 108882801
1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 105145927
2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine
CID 55193637
2-(4-tert-butylphenoxy)ethyl-triethylazanium
CID 3026407
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine?
The IUPAC name of 6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine (CID 106800707) is 6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine.
What is the SMILES notation for 6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine?
The canonical SMILES for 6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine is CCNC(CC)CCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine?
The InChIKey is SSVPMWKPGPHFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-16(19-7-2)9-8-14-20-17-12-10-15(11-13-17)18(3,4)5/h10-13,16,19H,6-9,14H2,1-5H3.
What are the key properties of 6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine?
6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine has a molecular weight of 277.45 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine is sourced from PubChem (CID 106800707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).