N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride

C23H42ClN — CID 173104613

IUPACN,N-diethyl-1-phenyltridecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCC(c1ccccc1)N(CC)CC.Cl
InChIInChI=1S/C23H41N.ClH/c1-4-7-8-9-10-11-12-13-14-18-21-23(24(5-2)6-3)22-19-16-15-17-20-22;/h15-17,19-20,23H,4-14,18,21H2,1-3H3;1H
InChIKeyOVYVGPJSSBWQNS-UHFFFAOYSA-N
MW368.05 g/mol
LogP7.80
Rot. Bonds15

About N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride

N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride (PubChem CID 173104613) has the molecular formula C23H42ClN and a molecular weight of 368.05 g/mol. Its IUPAC name is N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-1-phenyltridecan-1-amine;hydrochloride
PubChem CID173104613
Molecular FormulaC23H42ClN
Molecular Weight368.05 g/mol
Exact Mass367.30
IUPAC NameN,N-diethyl-1-phenyltridecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCC(c1ccccc1)N(CC)CC.Cl
InChIInChI=1S/C23H41N.ClH/c1-4-7-8-9-10-11-12-13-14-18-21-23(24(5-2)6-3)22-19-16-15-17-20-22;/h15-17,19-20,23H,4-14,18,21H2,1-3H3;1H
InChIKeyOVYVGPJSSBWQNS-UHFFFAOYSA-N
XLogP7.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.05
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 175211011
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N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N-ethyl-N-pentoxy-1-phenyltridecan-1-amine
CID 174435018
N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine
CID 90025073
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
azane;N-octadecyl-N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 174860139
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride?
The IUPAC name of N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride (CID 173104613) is N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride.
What is the SMILES notation for N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride?
The canonical SMILES for N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride is CCCCCCCCCCCCC(c1ccccc1)N(CC)CC.Cl.
What is the InChIKey of N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride?
The InChIKey is OVYVGPJSSBWQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N.ClH/c1-4-7-8-9-10-11-12-13-14-18-21-23(24(5-2)6-3)22-19-16-15-17-20-22;/h15-17,19-20,23H,4-14,18,21H2,1-3H3;1H.
What are the key properties of N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride?
N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride has a molecular weight of 368.05 g/mol, XLogP of 7.80, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride is sourced from PubChem (CID 173104613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).