8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane

C23H45NO2 — CID 142803034

IUPAC8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane
SMILESCCCCCCc1ccc(CCCCC(N)CCC)cc1.CO.COC
InChIInChI=1S/C20H35N.C2H6O.CH4O/c1-3-5-6-7-11-18-14-16-19(17-15-18)12-8-9-13-20(21)10-4-2;1-3-2;1-2/h14-17,20H,3-13,21H2,1-2H3;1-2H3;2H,1H3
InChIKeyWMGWKBLZMFJNKC-UHFFFAOYSA-N
MW367.62 g/mol
LogP5.52
Rot. Bonds12

About 8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane

8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane (PubChem CID 142803034) has the molecular formula C23H45NO2 and a molecular weight of 367.62 g/mol. Its IUPAC name is 8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane.

Molecular Properties

Compound Name8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane
PubChem CID142803034
Molecular FormulaC23H45NO2
Molecular Weight367.62 g/mol
Exact Mass367.35
IUPAC Name8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane
SMILESCCCCCCc1ccc(CCCCC(N)CCC)cc1.CO.COC
InChIInChI=1S/C20H35N.C2H6O.CH4O/c1-3-5-6-7-11-18-14-16-19(17-15-18)12-8-9-13-20(21)10-4-2;1-3-2;1-2/h14-17,20H,3-13,21H2,1-2H3;1-2H3;2H,1H3
InChIKeyWMGWKBLZMFJNKC-UHFFFAOYSA-N
XLogP5.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methylphenyl)propane-2-amine
CID 199116
beta-Amino-4-octylbenzenebutanol Hydrochloride
CID 10064205
[3-amino-5-(4-octylphenyl)pentyl]phosphonic Acid
CID 10172338
8-[4-(4-Aminobutyl)phenyl]octan-1-amine
CID 16126111
[(3R)-3-amino-5-(4-octylphenyl)pentyl]phosphonic acid
CID 137655932
1-Methyl-2-(4-propyl-phenyl)-ethylamine
CID 15061884
2-Amino-4-(4-octylphenyl)butan-1-ol
CID 10064206
(2R)-2-amino-4-(4-octylphenyl)butan-1-ol
CID 11608833
(2S)-2-amino-4-(4-octylphenyl)butan-1-ol
CID 54149192
Phenethylamine, alpha,p-dimethyl-, hydrochloride, (+-)-
CID 199115
3-Amino-5-Phenylpentane
CID 5195771
1-Methyl-4-phenyl-butylamine
CID 410940

Frequently Asked Questions

What is the IUPAC name of 8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane?
The IUPAC name of 8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane (CID 142803034) is 8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane.
What is the SMILES notation for 8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane?
The canonical SMILES for 8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane is CCCCCCc1ccc(CCCCC(N)CCC)cc1.CO.COC.
What is the InChIKey of 8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane?
The InChIKey is WMGWKBLZMFJNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N.C2H6O.CH4O/c1-3-5-6-7-11-18-14-16-19(17-15-18)12-8-9-13-20(21)10-4-2;1-3-2;1-2/h14-17,20H,3-13,21H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of 8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane?
8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane has a molecular weight of 367.62 g/mol, XLogP of 5.52, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane is sourced from PubChem (CID 142803034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).