6-(4-butylphenoxy)-N-ethylhexan-1-amine

C18H31NO — CID 115493364

IUPAC6-(4-butylphenoxy)-N-ethylhexan-1-amine
SMILESCCCCc1ccc(OCCCCCCNCC)cc1
InChIInChI=1S/C18H31NO/c1-3-5-10-17-11-13-18(14-12-17)20-16-9-7-6-8-15-19-4-2/h11-14,19H,3-10,15-16H2,1-2H3
InChIKeyJTFXRLTZCWBFAS-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.58
Rot. Bonds12

About 6-(4-butylphenoxy)-N-ethylhexan-1-amine

6-(4-butylphenoxy)-N-ethylhexan-1-amine (PubChem CID 115493364) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 6-(4-butylphenoxy)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name6-(4-butylphenoxy)-N-ethylhexan-1-amine
PubChem CID115493364
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name6-(4-butylphenoxy)-N-ethylhexan-1-amine
SMILESCCCCc1ccc(OCCCCCCNCC)cc1
InChIInChI=1S/C18H31NO/c1-3-5-10-17-11-13-18(14-12-17)20-16-9-7-6-8-15-19-4-2/h11-14,19H,3-10,15-16H2,1-2H3
InChIKeyJTFXRLTZCWBFAS-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.58
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

N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075
4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 115493310
N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764
N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine
CID 115493389
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522
N-ethyl-5-phenoxypentan-1-amine
CID 54394184
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
N-ethyl-4-(4-propylphenyl)butan-1-amine
CID 65305630

Frequently Asked Questions

What is the IUPAC name of 6-(4-butylphenoxy)-N-ethylhexan-1-amine?
The IUPAC name of 6-(4-butylphenoxy)-N-ethylhexan-1-amine (CID 115493364) is 6-(4-butylphenoxy)-N-ethylhexan-1-amine.
What is the SMILES notation for 6-(4-butylphenoxy)-N-ethylhexan-1-amine?
The canonical SMILES for 6-(4-butylphenoxy)-N-ethylhexan-1-amine is CCCCc1ccc(OCCCCCCNCC)cc1.
What is the InChIKey of 6-(4-butylphenoxy)-N-ethylhexan-1-amine?
The InChIKey is JTFXRLTZCWBFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-3-5-10-17-11-13-18(14-12-17)20-16-9-7-6-8-15-19-4-2/h11-14,19H,3-10,15-16H2,1-2H3.
What are the key properties of 6-(4-butylphenoxy)-N-ethylhexan-1-amine?
6-(4-butylphenoxy)-N-ethylhexan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.58, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylphenoxy)-N-ethylhexan-1-amine is sourced from PubChem (CID 115493364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).