N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine

C16H23Br2N — CID 81470336

IUPACN-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine
SMILESCc1cc(Br)c(CCC(C)CCNC2CC2)cc1Br
InChIInChI=1S/C16H23Br2N/c1-11(7-8-19-14-5-6-14)3-4-13-10-15(17)12(2)9-16(13)18/h9-11,14,19H,3-8H2,1-2H3
InChIKeyHWNKOECCGVPFCC-UHFFFAOYSA-N
MW389.18 g/mol
LogP5.23
Rot. Bonds7

About N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine

N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine (PubChem CID 81470336) has the molecular formula C16H23Br2N and a molecular weight of 389.18 g/mol. Its IUPAC name is N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine
PubChem CID81470336
Molecular FormulaC16H23Br2N
Molecular Weight389.18 g/mol
Exact Mass387.02
IUPAC NameN-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine
SMILESCc1cc(Br)c(CCC(C)CCNC2CC2)cc1Br
InChIInChI=1S/C16H23Br2N/c1-11(7-8-19-14-5-6-14)3-4-13-10-15(17)12(2)9-16(13)18/h9-11,14,19H,3-8H2,1-2H3
InChIKeyHWNKOECCGVPFCC-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.18
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 104662912
N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine
CID 65303656
N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 65303943
5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65433204
N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine
CID 65434549
N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304300
N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81018729
2,5-dibromo-N-[2-(cyclopropylamino)ethyl]-4-methylbenzenesulfonamide
CID 81326640
N-[3-methyl-5-(1-methylimidazol-2-yl)pentyl]cyclopropanamine
CID 114532982
N'-cyclopropyl-2-methylbutane-1,4-diamine
CID 79001550
N-(3-methyloctyl)cyclopropanamine
CID 81018953
N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine
CID 64663737

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine?
The IUPAC name of N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine (CID 81470336) is N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine is Cc1cc(Br)c(CCC(C)CCNC2CC2)cc1Br.
What is the InChIKey of N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine?
The InChIKey is HWNKOECCGVPFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br2N/c1-11(7-8-19-14-5-6-14)3-4-13-10-15(17)12(2)9-16(13)18/h9-11,14,19H,3-8H2,1-2H3.
What are the key properties of N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine?
N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine has a molecular weight of 389.18 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine is sourced from PubChem (CID 81470336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).