N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide

C24H44BrN — CID 175213976

IUPACN,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C24H43N.BrH/c1-4-7-8-9-10-11-12-13-14-15-19-22-24(25(5-2)6-3)23-20-17-16-18-21-23;/h16-18,20-21,24H,4-15,19,22H2,1-3H3;1H
InChIKeyUUGLTNOHEUCUQS-UHFFFAOYSA-N
MW426.53 g/mol
LogP8.35
Rot. Bonds16

About N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide

N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide (PubChem CID 175213976) has the molecular formula C24H44BrN and a molecular weight of 426.53 g/mol. Its IUPAC name is N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide.

Molecular Properties

Compound NameN,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide
PubChem CID175213976
Molecular FormulaC24H44BrN
Molecular Weight426.53 g/mol
Exact Mass425.27
IUPAC NameN,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C24H43N.BrH/c1-4-7-8-9-10-11-12-13-14-15-19-22-24(25(5-2)6-3)23-20-17-16-18-21-23;/h16-18,20-21,24H,4-15,19,22H2,1-3H3;1H
InChIKeyUUGLTNOHEUCUQS-UHFFFAOYSA-N
XLogP8.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.53
LogP ≤ 58.35
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

N,N-diethyl-1-phenylnonan-1-amine;hydrobromide
CID 175211011
N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride
CID 173104613
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
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
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
(1R)-1-phenyloctan-1-ol
CID 12794259

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide?
The IUPAC name of N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide (CID 175213976) is N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide.
What is the SMILES notation for N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide?
The canonical SMILES for N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide is Br.CCCCCCCCCCCCCC(c1ccccc1)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide?
The InChIKey is UUGLTNOHEUCUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N.BrH/c1-4-7-8-9-10-11-12-13-14-15-19-22-24(25(5-2)6-3)23-20-17-16-18-21-23;/h16-18,20-21,24H,4-15,19,22H2,1-3H3;1H.
What are the key properties of N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide?
N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide has a molecular weight of 426.53 g/mol, XLogP of 8.35, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide is sourced from PubChem (CID 175213976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).