N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide

C25H46BrN — CID 173082134

IUPACN,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCC(c1ccccc1)N(C)C
InChIInChI=1S/C25H45N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(26(2)3)24-21-18-17-19-22-24;/h17-19,21-22,25H,4-16,20,23H2,1-3H3;1H
InChIKeyOEOCZPWMHRQDJA-UHFFFAOYSA-N
MW440.55 g/mol
LogP8.74
Rot. Bonds17

About N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide

N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide (PubChem CID 173082134) has the molecular formula C25H46BrN and a molecular weight of 440.55 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
PubChem CID173082134
Molecular FormulaC25H46BrN
Molecular Weight440.55 g/mol
Exact Mass439.28
IUPAC NameN,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCC(c1ccccc1)N(C)C
InChIInChI=1S/C25H45N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(26(2)3)24-21-18-17-19-22-24;/h17-19,21-22,25H,4-16,20,23H2,1-3H3;1H
InChIKeyOEOCZPWMHRQDJA-UHFFFAOYSA-N
XLogP8.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 58.74
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-dimethyl-1-phenylheptan-1-amine
CID 67220027
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
N,N-diethyl-1-phenylnonan-1-amine;hydrobromide
CID 175211011
N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide
CID 175213976
N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride
CID 173104613
N,N-dimethyl-1,3-diphenylheptan-1-amine
CID 165348529
1-phenylheptylphosphane
CID 174874892
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
N-ethyl-N-pentoxy-1-phenyltridecan-1-amine
CID 174435018
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide?
The IUPAC name of N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide (CID 173082134) is N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide.
What is the SMILES notation for N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide?
The canonical SMILES for N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide is Br.CCCCCCCCCCCCCCCCC(c1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide?
The InChIKey is OEOCZPWMHRQDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(26(2)3)24-21-18-17-19-22-24;/h17-19,21-22,25H,4-16,20,23H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide?
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide has a molecular weight of 440.55 g/mol, XLogP of 8.74, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide is sourced from PubChem (CID 173082134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).