N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine

C16H24BrN — CID 28555572

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
SMILESC[C@@H](NC1CCCCCCC1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrN/c1-13(14-8-7-9-15(17)12-14)18-16-10-5-3-2-4-6-11-16/h7-9,12-13,16,18H,2-6,10-11H2,1H3/t13-/m1/s1
InChIKeyUJZTULZCJASEGU-CYBMUJFWSA-N
MW310.28 g/mol
LogP5.21
Rot. Bonds3

About N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine

N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine (PubChem CID 28555572) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
PubChem CID28555572
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
SMILESC[C@@H](NC1CCCCCCC1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrN/c1-13(14-8-7-9-15(17)12-14)18-16-10-5-3-2-4-6-11-16/h7-9,12-13,16,18H,2-6,10-11H2,1H3/t13-/m1/s1
InChIKeyUJZTULZCJASEGU-CYBMUJFWSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.28
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448653
N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43244142
N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210641
N-[(1R)-1-(3-bromophenyl)ethyl]-1-oxothian-4-amine
CID 81381561
N-[(1R)-1-(3-bromophenyl)ethyl]-1,1-dioxothian-4-amine
CID 81381818
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055
N-[(1S)-1-(3-bromophenyl)ethyl]-1,1-dioxothian-3-amine
CID 81382661
N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81381354
1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43426728
4-[1-(3-bromophenyl)ethylamino]azepan-2-one
CID 63903898
N-(1-phenylethyl)cyclododecanamine
CID 60662638

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine (CID 28555572) is N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine is C[C@@H](NC1CCCCCCC1)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine?
The InChIKey is UJZTULZCJASEGU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24BrN/c1-13(14-8-7-9-15(17)12-14)18-16-10-5-3-2-4-6-11-16/h7-9,12-13,16,18H,2-6,10-11H2,1H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine?
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine has a molecular weight of 310.28 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine is sourced from PubChem (CID 28555572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).