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

C17H26BrN — CID 107448653

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N[C@H](C)c2cccc(Br)c2)C1
InChIInChI=1S/C17H26BrN/c1-12(2)14-6-5-9-17(11-14)19-13(3)15-7-4-8-16(18)10-15/h4,7-8,10,12-14,17,19H,5-6,9,11H2,1-3H3/t13-,14?,17?/m1/s1
InChIKeyWBEZQIYFIXCVOR-TUBUQKNSSA-N
MW324.31 g/mol
LogP5.31
Rot. Bonds4

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

N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448653) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448653
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N[C@H](C)c2cccc(Br)c2)C1
InChIInChI=1S/C17H26BrN/c1-12(2)14-6-5-9-17(11-14)19-13(3)15-7-4-8-16(18)10-15/h4,7-8,10,12-14,17,19H,5-6,9,11H2,1-3H3/t13-,14?,17?/m1/s1
InChIKeyWBEZQIYFIXCVOR-TUBUQKNSSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43244142
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 81381403
N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81381354
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055
N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210641
N-[(1S)-1-(3-bromophenyl)ethyl]-1,1-dioxothian-3-amine
CID 81382661
N-[1-(3,4-dichlorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107447869
4-[1-(3-bromophenyl)ethylamino]azepan-2-one
CID 63903898
N-[(1R)-1-(3-bromophenyl)ethyl]-1,1-dioxothian-4-amine
CID 81381818
N-[(1R)-1-(3-bromophenyl)ethyl]-1-oxothian-4-amine
CID 81381561
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81369167

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine (CID 107448653) is N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(N[C@H](C)c2cccc(Br)c2)C1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is WBEZQIYFIXCVOR-TUBUQKNSSA-N. The full InChI is InChI=1S/C17H26BrN/c1-12(2)14-6-5-9-17(11-14)19-13(3)15-7-4-8-16(18)10-15/h4,7-8,10,12-14,17,19H,5-6,9,11H2,1-3H3/t13-,14?,17?/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.31, 4 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]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).