N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine

C17H20BrN — CID 81378602

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)N[C@H](C)c2ccccc2Br)c1
InChIInChI=1S/C17H20BrN/c1-12-7-6-8-15(11-12)13(2)19-14(3)16-9-4-5-10-17(16)18/h4-11,13-14,19H,1-3H3/t13?,14-/m1/s1
InChIKeyGJCRCOZZFPXROI-ARLHGKGLSA-N
MW318.26 g/mol
LogP5.17
Rot. Bonds4

About N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine

N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81378602) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine
PubChem CID81378602
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)N[C@H](C)c2ccccc2Br)c1
InChIInChI=1S/C17H20BrN/c1-12-7-6-8-15(11-12)13(2)19-14(3)16-9-4-5-10-17(16)18/h4-11,13-14,19H,1-3H3/t13?,14-/m1/s1
InChIKeyGJCRCOZZFPXROI-ARLHGKGLSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
(1S)-1-(2-bromophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81379135
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 81378024
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
2-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzene-1,4-diol
CID 81363535
(1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360674
N-[(1R)-1-(3-methylphenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 81369437

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine (CID 81378602) is N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine is Cc1cccc(C(C)N[C@H](C)c2ccccc2Br)c1.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is GJCRCOZZFPXROI-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-7-6-8-15(11-12)13(2)19-14(3)16-9-4-5-10-17(16)18/h4-11,13-14,19H,1-3H3/t13?,14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine?
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 318.26 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81378602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).