N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide

C16H28BrN — CID 173221051

IUPACN,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide
SMILESBr.CNC(CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C16H27N.BrH/c1-13(2)16(17-5,14(3)4)12-11-15-9-7-6-8-10-15;/h6-10,13-14,17H,11-12H2,1-5H3;1H
InChIKeyFQJMAKSNYDRZEJ-UHFFFAOYSA-N
MW314.31 g/mol
LogP4.47
Rot. Bonds6

About N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide

N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide (PubChem CID 173221051) has the molecular formula C16H28BrN and a molecular weight of 314.31 g/mol. Its IUPAC name is N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide.

Molecular Properties

Compound NameN,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide
PubChem CID173221051
Molecular FormulaC16H28BrN
Molecular Weight314.31 g/mol
Exact Mass313.14
IUPAC NameN,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide
SMILESBr.CNC(CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C16H27N.BrH/c1-13(2)16(17-5,14(3)4)12-11-15-9-7-6-8-10-15;/h6-10,13-14,17H,11-12H2,1-5H3;1H
InChIKeyFQJMAKSNYDRZEJ-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
3-ethyl-4-methyl-1-phenylpentan-3-amine
CID 60922905
2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
CID 65308891
2-methyl-1-(2-methylpropylamino)-4-phenylbutan-2-ol
CID 62774344
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol
CID 66003057
ethane;methane;2-methylbutane;tris(2-phenylethylbenzene)
CID 159124725
1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
ethene;3-methylbutylbenzene
CID 145421013
(5-bromo-3,3-dimethylhexyl)benzene
CID 64718338
2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid
CID 106488584

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide?
The IUPAC name of N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide (CID 173221051) is N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide.
What is the SMILES notation for N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide?
The canonical SMILES for N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide is Br.CNC(CCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide?
The InChIKey is FQJMAKSNYDRZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N.BrH/c1-13(2)16(17-5,14(3)4)12-11-15-9-7-6-8-10-15;/h6-10,13-14,17H,11-12H2,1-5H3;1H.
What are the key properties of N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide?
N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide has a molecular weight of 314.31 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide is sourced from PubChem (CID 173221051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).