N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine

C14H22BrN — CID 61468699

IUPACN-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C14H22BrN/c1-5-14(10(2)3)16-11(4)12-6-8-13(15)9-7-12/h6-11,14,16H,5H2,1-4H3
InChIKeyXQYCMQBPWLEPFD-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.53
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine

N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine (PubChem CID 61468699) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine
PubChem CID61468699
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C14H22BrN/c1-5-14(10(2)3)16-11(4)12-6-8-13(15)9-7-12/h6-11,14,16H,5H2,1-4H3
InChIKeyXQYCMQBPWLEPFD-UHFFFAOYSA-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

(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 43766850
N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43788964
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
N-[1-(4-bromophenyl)ethyl]hexan-3-amine
CID 63476564
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 82774823
2-(4-bromophenyl)-N-ethylpentan-3-amine
CID 79308085
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine (CID 61468699) is N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine is CCC(NC(C)c1ccc(Br)cc1)C(C)C.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine?
The InChIKey is XQYCMQBPWLEPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-5-14(10(2)3)16-11(4)12-6-8-13(15)9-7-12/h6-11,14,16H,5H2,1-4H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine?
N-[1-(4-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-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 61468699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).