(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine

C16H22BrNO2 — CID 95315646

IUPAC(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine
SMILESBrc1cccc([C@H]2CN(CC3CCOCC3)CCO2)c1
InChIInChI=1S/C16H22BrNO2/c17-15-3-1-2-14(10-15)16-12-18(6-9-20-16)11-13-4-7-19-8-5-13/h1-3,10,13,16H,4-9,11-12H2/t16-/m1/s1
InChIKeyKNAQJVMMUKRKLD-MRXNPFEDSA-N
MW340.26 g/mol
LogP3.25
Rot. Bonds3

About (2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine

(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine (PubChem CID 95315646) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine
PubChem CID95315646
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine
SMILESBrc1cccc([C@H]2CN(CC3CCOCC3)CCO2)c1
InChIInChI=1S/C16H22BrNO2/c17-15-3-1-2-14(10-15)16-12-18(6-9-20-16)11-13-4-7-19-8-5-13/h1-3,10,13,16H,4-9,11-12H2/t16-/m1/s1
InChIKeyKNAQJVMMUKRKLD-MRXNPFEDSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638
(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
CID 99640543
3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol
CID 124622135
2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride
CID 120849357
3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol
CID 129433014
2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine
CID 60609509
methyl (2S)-3-[(2R)-2-(3-bromophenyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoate
CID 97317840
2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide
CID 47090002
2-(3-bromophenyl)-4-methylsulfonylmorpholine
CID 110364445
4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 60503694
2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119931332

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine?
The IUPAC name of (2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine (CID 95315646) is (2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine is Brc1cccc([C@H]2CN(CC3CCOCC3)CCO2)c1.
What is the InChIKey of (2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine?
The InChIKey is KNAQJVMMUKRKLD-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22BrNO2/c17-15-3-1-2-14(10-15)16-12-18(6-9-20-16)11-13-4-7-19-8-5-13/h1-3,10,13,16H,4-9,11-12H2/t16-/m1/s1.
What are the key properties of (2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine?
(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine has a molecular weight of 340.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine is sourced from PubChem (CID 95315646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).