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

C19H34BrN — CID 175211011

IUPACN,N-diethyl-1-phenylnonan-1-amine;hydrobromide
SMILESBr.CCCCCCCCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C19H33N.BrH/c1-4-7-8-9-10-14-17-19(20(5-2)6-3)18-15-12-11-13-16-18;/h11-13,15-16,19H,4-10,14,17H2,1-3H3;1H
InChIKeyPNHWBMWLFDXIDU-UHFFFAOYSA-N
MW356.39 g/mol
LogP6.40
Rot. Bonds11

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

N,N-diethyl-1-phenylnonan-1-amine;hydrobromide (PubChem CID 175211011) has the molecular formula C19H34BrN and a molecular weight of 356.39 g/mol. Its IUPAC name is N,N-diethyl-1-phenylnonan-1-amine;hydrobromide.

Molecular Properties

Compound NameN,N-diethyl-1-phenylnonan-1-amine;hydrobromide
PubChem CID175211011
Molecular FormulaC19H34BrN
Molecular Weight356.39 g/mol
Exact Mass355.19
IUPAC NameN,N-diethyl-1-phenylnonan-1-amine;hydrobromide
SMILESBr.CCCCCCCCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C19H33N.BrH/c1-4-7-8-9-10-14-17-19(20(5-2)6-3)18-15-12-11-13-16-18;/h11-13,15-16,19H,4-10,14,17H2,1-3H3;1H
InChIKeyPNHWBMWLFDXIDU-UHFFFAOYSA-N
XLogP6.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.39
LogP ≤ 56.40
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-phenyltetradecan-1-amine;hydrobromide
CID 175213976
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
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenylnonan-1-amine;hydrobromide?
The IUPAC name of N,N-diethyl-1-phenylnonan-1-amine;hydrobromide (CID 175211011) is N,N-diethyl-1-phenylnonan-1-amine;hydrobromide.
What is the SMILES notation for N,N-diethyl-1-phenylnonan-1-amine;hydrobromide?
The canonical SMILES for N,N-diethyl-1-phenylnonan-1-amine;hydrobromide is Br.CCCCCCCCC(c1ccccc1)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-phenylnonan-1-amine;hydrobromide?
The InChIKey is PNHWBMWLFDXIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N.BrH/c1-4-7-8-9-10-14-17-19(20(5-2)6-3)18-15-12-11-13-16-18;/h11-13,15-16,19H,4-10,14,17H2,1-3H3;1H.
What are the key properties of N,N-diethyl-1-phenylnonan-1-amine;hydrobromide?
N,N-diethyl-1-phenylnonan-1-amine;hydrobromide has a molecular weight of 356.39 g/mol, XLogP of 6.40, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenylnonan-1-amine;hydrobromide is sourced from PubChem (CID 175211011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).