1-(2,3-diethylphenyl)octan-1-amine;hydrochloride

C18H32ClN — CID 173450788

IUPAC1-(2,3-diethylphenyl)octan-1-amine;hydrochloride
SMILESCCCCCCCC(N)c1cccc(CC)c1CC.Cl
InChIInChI=1S/C18H31N.ClH/c1-4-7-8-9-10-14-18(19)17-13-11-12-15(5-2)16(17)6-3;/h11-13,18H,4-10,14,19H2,1-3H3;1H
InChIKeyPXIIGFWUTFLQDG-UHFFFAOYSA-N
MW297.91 g/mol
LogP5.59
Rot. Bonds9

About 1-(2,3-diethylphenyl)octan-1-amine;hydrochloride

1-(2,3-diethylphenyl)octan-1-amine;hydrochloride (PubChem CID 173450788) has the molecular formula C18H32ClN and a molecular weight of 297.91 g/mol. Its IUPAC name is 1-(2,3-diethylphenyl)octan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-diethylphenyl)octan-1-amine;hydrochloride
PubChem CID173450788
Molecular FormulaC18H32ClN
Molecular Weight297.91 g/mol
Exact Mass297.22
IUPAC Name1-(2,3-diethylphenyl)octan-1-amine;hydrochloride
SMILESCCCCCCCC(N)c1cccc(CC)c1CC.Cl
InChIInChI=1S/C18H31N.ClH/c1-4-7-8-9-10-14-18(19)17-13-11-12-15(5-2)16(17)6-3;/h11-13,18H,4-10,14,19H2,1-3H3;1H
InChIKeyPXIIGFWUTFLQDG-UHFFFAOYSA-N
XLogP5.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.91
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-diethylphenyl)octadecan-1-amine;hydrochloride
CID 173450501
1-(2,3-diethylphenyl)tetradecan-1-amine
CID 22761428
1-(2,3-diethylphenyl)dodecan-1-amine;hydrate
CID 173447961
1-(2,3-dipropylphenyl)tetradecan-1-amine
CID 21316150
1-(2-hexadecylphenyl)heptadecan-1-amine
CID 70401648
1-(2,3-diethylphenyl)ethanamine
CID 130066606
1-(2,5-diethylphenyl)decan-1-amine
CID 65448585
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(2-iodo-3-methylphenyl)octan-1-amine
CID 114030076
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
1-(2,3-dimethylphenyl)dodecan-1-amine;hydrate
CID 173447782
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethylphenyl)octan-1-amine;hydrochloride?
The IUPAC name of 1-(2,3-diethylphenyl)octan-1-amine;hydrochloride (CID 173450788) is 1-(2,3-diethylphenyl)octan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2,3-diethylphenyl)octan-1-amine;hydrochloride?
The canonical SMILES for 1-(2,3-diethylphenyl)octan-1-amine;hydrochloride is CCCCCCCC(N)c1cccc(CC)c1CC.Cl.
What is the InChIKey of 1-(2,3-diethylphenyl)octan-1-amine;hydrochloride?
The InChIKey is PXIIGFWUTFLQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N.ClH/c1-4-7-8-9-10-14-18(19)17-13-11-12-15(5-2)16(17)6-3;/h11-13,18H,4-10,14,19H2,1-3H3;1H.
What are the key properties of 1-(2,3-diethylphenyl)octan-1-amine;hydrochloride?
1-(2,3-diethylphenyl)octan-1-amine;hydrochloride has a molecular weight of 297.91 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethylphenyl)octan-1-amine;hydrochloride is sourced from PubChem (CID 173450788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).