1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol

C17H20BrNO — CID 81375499

IUPAC1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol
SMILESCc1ccccc1[C@@H](C)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO/c1-12-6-3-4-9-16(12)13(2)19-11-17(20)14-7-5-8-15(18)10-14/h3-10,13,17,19-20H,11H2,1-2H3/t13-,17?/m1/s1
InChIKeyBNCIWZWBKAZUGJ-FWJOYPJLSA-N
MW334.26 g/mol
LogP4.14
Rot. Bonds5

About 1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol

1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol (PubChem CID 81375499) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol
PubChem CID81375499
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol
SMILESCc1ccccc1[C@@H](C)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO/c1-12-6-3-4-9-16(12)13(2)19-11-17(20)14-7-5-8-15(18)10-14/h3-10,13,17,19-20H,11H2,1-2H3/t13-,17?/m1/s1
InChIKeyBNCIWZWBKAZUGJ-FWJOYPJLSA-N
XLogP4.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63867516
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CID 60734196
2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol
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(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
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1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
CID 54938857
1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol
CID 54938378
(3-bromophenyl)-(2-methylphenyl)methanol
CID 60798541
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 81375054
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CID 55050060
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol (CID 81375499) is 1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol is Cc1ccccc1[C@@H](C)NCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol?
The InChIKey is BNCIWZWBKAZUGJ-FWJOYPJLSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-6-3-4-9-16(12)13(2)19-11-17(20)14-7-5-8-15(18)10-14/h3-10,13,17,19-20H,11H2,1-2H3/t13-,17?/m1/s1.
What are the key properties of 1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol?
1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol has a molecular weight of 334.26 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol is sourced from PubChem (CID 81375499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).