N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride

C15H25BrClN — CID 17331375

IUPACN-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
SMILESCC(C)(C)CC(C)(C)NCc1cccc(Br)c1.Cl
InChIInChI=1S/C15H24BrN.ClH/c1-14(2,3)11-15(4,5)17-10-12-7-6-8-13(16)9-12;/h6-9,17H,10-11H2,1-5H3;1H
InChIKeyXQVHRLOOFDTOPM-UHFFFAOYSA-N
MW334.73 g/mol
LogP5.18
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride

N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride (PubChem CID 17331375) has the molecular formula C15H25BrClN and a molecular weight of 334.73 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
PubChem CID17331375
Molecular FormulaC15H25BrClN
Molecular Weight334.73 g/mol
Exact Mass333.09
IUPAC NameN-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
SMILESCC(C)(C)CC(C)(C)NCc1cccc(Br)c1.Cl
InChIInChI=1S/C15H24BrN.ClH/c1-14(2,3)11-15(4,5)17-10-12-7-6-8-13(16)9-12;/h6-9,17H,10-11H2,1-5H3;1H
InChIKeyXQVHRLOOFDTOPM-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.73
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol
CID 4715466
3-N-[(3-bromophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134766
N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 43434198
2-[(3-bromophenyl)methylamino]-3-hydroxy-2-methylpropanoic acid
CID 67025353
2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride
CID 6463081
5-bromo-2-[(2,4,4-trimethylpentan-2-ylamino)methyl]aniline
CID 79712891
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
(2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide
CID 97341035
N-[[3-[(3-bromophenyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 66349679
1-bromo-3-(3,3-dimethylbutyl)benzene
CID 58974913
2-[(3-bromophenyl)methylamino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid
CID 44554248
1-(3-bromophenyl)-N-chloromethanamine
CID 90399369

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride?
The IUPAC name of N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride (CID 17331375) is N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride is CC(C)(C)CC(C)(C)NCc1cccc(Br)c1.Cl.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride?
The InChIKey is XQVHRLOOFDTOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN.ClH/c1-14(2,3)11-15(4,5)17-10-12-7-6-8-13(16)9-12;/h6-9,17H,10-11H2,1-5H3;1H.
What are the key properties of N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride?
N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride has a molecular weight of 334.73 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride is sourced from PubChem (CID 17331375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).