N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine

C14H22BrN — CID 81378481

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(N[C@H](C)c1ccccc1Br)C(C)C
InChIInChI=1S/C14H22BrN/c1-5-14(10(2)3)16-11(4)12-8-6-7-9-13(12)15/h6-11,14,16H,5H2,1-4H3/t11-,14?/m1/s1
InChIKeyPAFXNPOWDVQRLF-YNODCEANSA-N
MW284.24 g/mol
LogP4.53
Rot. Bonds5

About N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine

N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine (PubChem CID 81378481) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
PubChem CID81378481
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(N[C@H](C)c1ccccc1Br)C(C)C
InChIInChI=1S/C14H22BrN/c1-5-14(10(2)3)16-11(4)12-8-6-7-9-13(12)15/h6-11,14,16H,5H2,1-4H3/t11-,14?/m1/s1
InChIKeyPAFXNPOWDVQRLF-YNODCEANSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
N-[(1R)-1-(2-bromophenyl)ethyl]pent-1-yn-3-amine
CID 104865346
N-[1-(2-bromophenyl)ethyl]hexan-3-amine
CID 63477080
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-4-amine
CID 81383471
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]butanenitrile
CID 81383503
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]butanenitrile
CID 81383830
2-bromo-N-(2-methylpentan-3-yl)aniline
CID 43762620
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile
CID 81383586

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine (CID 81378481) is N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine is CCC(N[C@H](C)c1ccccc1Br)C(C)C.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine?
The InChIKey is PAFXNPOWDVQRLF-YNODCEANSA-N. The full InChI is InChI=1S/C14H22BrN/c1-5-14(10(2)3)16-11(4)12-8-6-7-9-13(12)15/h6-11,14,16H,5H2,1-4H3/t11-,14?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine has a molecular weight of 284.24 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 81378481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).