N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide

C20H28BrN — CID 173427481

IUPACN,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide
SMILESBr.CN(C)CC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H27N.BrH/c1-21(2)17-20(15-13-18-9-5-3-6-10-18)16-14-19-11-7-4-8-12-19;/h3-12,20H,13-17H2,1-2H3;1H
InChIKeyQMJCENIVAJZYAN-UHFFFAOYSA-N
MW362.35 g/mol
LogP5.01
Rot. Bonds8

About N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide

N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide (PubChem CID 173427481) has the molecular formula C20H28BrN and a molecular weight of 362.35 g/mol. Its IUPAC name is N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide.

Molecular Properties

Compound NameN,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide
PubChem CID173427481
Molecular FormulaC20H28BrN
Molecular Weight362.35 g/mol
Exact Mass361.14
IUPAC NameN,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide
SMILESBr.CN(C)CC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H27N.BrH/c1-21(2)17-20(15-13-18-9-5-3-6-10-18)16-14-19-11-7-4-8-12-19;/h3-12,20H,13-17H2,1-2H3;1H
InChIKeyQMJCENIVAJZYAN-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.35
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine
CID 69151806
1-(dimethylamino)-5-phenylpentan-2-ol
CID 79087865
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217
2-benzyl-N',N'-dimethylpropane-1,3-diamine
CID 23008665
(2R)-2-benzyl-N,N-dimethylhexan-1-amine
CID 10021640
ethene;3-methylbutylbenzene
CID 145421013
(1S)-1-(dimethylamino)-3-phenylpropan-1-ol
CID 54291399
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646
2-benzyl-N,N-dimethyloctadecan-1-amine
CID 67604141
N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine
CID 162416433
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 103188024
1-N,1-N,3-trimethyl-2-N-(3-phenylpropyl)butane-1,2-diamine
CID 54953976

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide?
The IUPAC name of N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide (CID 173427481) is N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide.
What is the SMILES notation for N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide?
The canonical SMILES for N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide is Br.CN(C)CC(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide?
The InChIKey is QMJCENIVAJZYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N.BrH/c1-21(2)17-20(15-13-18-9-5-3-6-10-18)16-14-19-11-7-4-8-12-19;/h3-12,20H,13-17H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide?
N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide has a molecular weight of 362.35 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide is sourced from PubChem (CID 173427481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).