4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine

C14H22BrN — CID 83921617

IUPAC4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine
SMILESCCc1ccc(C(C)C(C)CCN)cc1Br
InChIInChI=1S/C14H22BrN/c1-4-12-5-6-13(9-14(12)15)11(3)10(2)7-8-16/h5-6,9-11H,4,7-8,16H2,1-3H3
InChIKeyPOJNFWNCLILEDS-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.10
Rot. Bonds5

About 4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine

4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine (PubChem CID 83921617) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine
PubChem CID83921617
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine
SMILESCCc1ccc(C(C)C(C)CCN)cc1Br
InChIInChI=1S/C14H22BrN/c1-4-12-5-6-13(9-14(12)15)11(3)10(2)7-8-16/h5-6,9-11H,4,7-8,16H2,1-3H3
InChIKeyPOJNFWNCLILEDS-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Bromophenethylamine
CID 7021736
2-Bromophenethylamine
CID 2734091
1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]methanamine hydrochloride, trans
CID 44572750
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
3-Bromoamphetamine
CID 15061891
rac-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine hydrochloride
CID 56673910
2-Bromo-4-methyl-1-isopropylbenzene
CID 20555
[2-(2-Bromophenyl)cyclopropyl]methanamine;hydrochloride
CID 16047543
trans-(+/-)-2-(2-Bromo-phenyl)-cyclopropylmethylamine hydrochloride
CID 44572752
rac-(1R,2S)-2-(2-bromophenyl)cyclopropan-1-amine hydrochloride
CID 56670424
1-[(1S,2S)-2-(3-bromophenyl)cyclopropyl]methanamine hydrochloride, trans
CID 25084024
[(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride
CID 44572175

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine?
The IUPAC name of 4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine (CID 83921617) is 4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for 4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine?
The canonical SMILES for 4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine is CCc1ccc(C(C)C(C)CCN)cc1Br.
What is the InChIKey of 4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine?
The InChIKey is POJNFWNCLILEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-4-12-5-6-13(9-14(12)15)11(3)10(2)7-8-16/h5-6,9-11H,4,7-8,16H2,1-3H3.
What are the key properties of 4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine?
4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 83921617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).